Natural Product: NPC274455

Natural Product ID:  NPC274455
Common Name:   Ibuprofen
IUPAC Name:   2-[4-(2-methylpropyl)phenyl]propanoic acid
Synonyms:   Aches-N-Pain; Advil; Advil Liqui-Gels; Advil Migraine Liqui-Gels; Anadin Joint Pain; Anadin LiquiFast; Anadin Period Pain Relief; Anadin Ultra; Apsifen; Apsifen-F; Arthrofen 200; Arthrofen 400; Arthrofen 600; Brufen Ret; Caldolor; Cap-Profen; Children's Advil; Children's Advil-Flavored; Children's Elixsure; Children'S Ibuprofen; Children'S Motrin; Co-Op; Codafen Continus; Cuprofen For Child; Cuprofen Plus; Deep Relief; Ebufac; Femafen; Fenbid; Fenbid Fte; Fenpaed; Feverfen; Fleximex; Ibu-Slo; Ibu-Tab; Ibu-Tab 200; Ibucalm; Ibuderm; Ibufac; Ibugel; Ibugel Fte; Ibular; Ibuleve; Ibumed; Ibumetin; Ibumousse; Ibuprin; Ibuprofen; Ibuprohm; Ibuspray; Ibutime; Inabrin; Inoven; Isisfen; Junifen; Junior Strength Advil; Junior Strength Ibuprofen; Junior Strength Motrin; Lidifen; Lidifen-F; Lobufen; Mandafen; Manorfen; Maxa-Gesic; Medipren; Midol; Midol Liquid Gels; Migrafen; Motrin; Motrin Ib; Motrin Migraine Pain; Novaprin; Nuprin; Nurofen 400; Nurofen Back Pain SR; Nurofen Child; Nurofen For Child; Nurofen Plus; Nurofen Recovery; Nurofen Sinus; Nurofen Solb; Orbifen; Pacifene; Paxofen; Pedea; Pediatric Advil; Phensic; Phor Pain; Phorpain; Phorpain Max Strgh; Profen; Proflex; Proflex Sr; Relcofen; Rimafen; Rufen; Seclodin; Suspren; Tab-Profen; U-18573
Molecular Formula:   C13H18O2
Standard InCHIKey:  HEFNNWSXXWATRW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
Canonical SMILES:  CC(Cc1ccc(cc1)C(C(=O)O)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[8496270]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[8527289]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus ED50 = 15.7 mg/kg 1495016
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 50 mg/kg 6608000
NPT29 Organism Rattus norvegicus Rattus norvegicus ED40 > 150 mg/kg 6608000
NPT32 Organism Mus musculus Mus musculus ED50 = 4.8 mg/kg 7901416
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 100 mg/kg 8151626
NPT3782 Protein Family Prostaglandin G/H synthase (cyclooxygenase) Mus musculus IC50 = 220 nM 8568814
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 10.8 mg/kg 6607354
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 15.9 mg/kg 6607354
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 62 % 10.1016/S0960-894X(97)00449-6
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 65 % 10.1016/S0960-894X(97)00449-6
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 70 % 10.1016/S0960-894X(97)00449-6
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 74 % 10.1016/S0960-894X(97)00449-6
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 3000 nM 9544212
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 30000 nM 9544212
NPT1476 Protein Family Cyclooxygenase Homo sapiens Ratio = 0.1 9544212
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 56.2 % 14584938
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 41.5 % 14584938
NPT4280 Individual Protein Prostaglandin-H2 D-isomerase Mus musculus IC50 = 13000 nM 1900533
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 1060 nM 14741265
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 484.8 nM 7562922
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 9000 nM 7562922
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 8000 nM 7562922
NPT1476 Protein Family Cyclooxygenase Homo sapiens Ratio = 1.1 7562922
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 43.8 % 11520200
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 51.7 % 11520200
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 100 mg/kg 11520200
NPT32 Organism Mus musculus Mus musculus ED50 = 50 mg/kg 6708056
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 39 % 6708056
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 73 % 3104589
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 > 100000 nM 3104589
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 61.8 2113951
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 33.22 mg/kg 15013005
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 6300 nM 10.1016/0960-894X(96)00097-2
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 19.6 % 11585451
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 48.5 % 11585451
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 11.7 % 11585451
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 30.3 % 11585451
NPT2 Others Unspecified IC50 = 8.71E+13 nM 11585451
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 30 % 6502598
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 40 % 6502598
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 0.139 % 6502598
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 56 % 6502598
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 210 umol/kg 6502598
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 79 % 6502598
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 63 % 2104935
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 494 mg/kg 6218302
NPT32 Organism Mus musculus Mus musculus LD50 = 1650 mg/kg 6218302
NPT1559 Protein Family Cyclooxygenase Rattus norvegicus IC50 = 2000 nM 2115586
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 24.3 mg/kg 6827540
NPT32 Organism Mus musculus Mus musculus ED50 = 50 mg/kg 6827540
NPT32 Organism Mus musculus Mus musculus LD50 = 1394 mg/kg 6827540
NPT2 Others Unspecified Ratio = 5.1 6827540
NPT183 Individual Protein Arachidonate 5-lipoxygenase Rattus norvegicus IC50 = 14000 nM 9057869
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens IC50 = 17000 nM 9057869
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 11100 nM 9057869
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 100 nM 9057869
NPT32 Organism Mus musculus Mus musculus ED50 = 32.4 mg/kg 3373493
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 64.5 mg/kg 3373493
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 21 mg/kg 3373493
NPT2 Others Unspecified Ratio = 0.3 3373493
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 25 mg/kg 12540240
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 34 mg/kg 12540240
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 8 mg/kg 12540240
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 1.4 % 12540240
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 3000 nM 9544211
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 30000 nM 9544211
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Ki = 50000 nM 10956186
NPT32 Organism Mus musculus Mus musculus ID50 > 600 mg/kg 6461764
NPT32 Organism Mus musculus Mus musculus ID50 > 150 mg/kg 6461764
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 70 mg/kg 6461764
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 30 % 6461764
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 100 % 6461764
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 56 % 6461764
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 65 % 6461764
NPT32 Organism Mus musculus Mus musculus LD50 = 1650 mg/kg 6461764
NPT32 Organism Mus musculus Mus musculus LD50 = 490 mg/kg 6461764
NPT32 Organism Mus musculus Mus musculus ED50 = 8 mg/kg 6972450
NPT32 Organism Mus musculus Mus musculus ED50 = 15 mg/kg 6972450
NPT32 Organism Mus musculus Mus musculus LD50 > 1000 mg/kg 6972450
NPT29 Organism Rattus norvegicus Rattus norvegicus Mortality = 50 % 15203134
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 62 % 10.1016/S0960-894X(00)80016-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 65 % 10.1016/S0960-894X(00)80016-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 70 % 10.1016/S0960-894X(00)80016-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 74 % 10.1016/S0960-894X(00)80016-5
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 3000 nM 9719605
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 30000 nM 9719605
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 14400 nM 15780608
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 265500 nM 15780608
NPT4243 Individual Protein Cyclooxygenase-2 Rattus norvegicus Inhibition = 54.5 % 15780608
NPT32 Organism Mus musculus Mus musculus Inhibition = 35 % 15454241
NPT32 Organism Mus musculus Mus musculus Inhibition = 59 % 15454241
NPT4243 Individual Protein Cyclooxygenase-2 Rattus norvegicus ID50 = 56.2 mg/kg 15267236
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition < 50 % 15369391
NPT604 Individual Protein Serum albumin Homo sapiens Ki = 1.66E+14 nM 15801837
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 15943479
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1100 nM 15943479
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 67.4 mg/kg 15943479
NPT3504 Individual Protein Aldo-keto-reductase family 1 member C3 Homo sapiens IC50 = 33000 nM 16183274
NPT2 Others Unspecified Inhibition = 28 % 16455248
NPT4149 Protein Complex Gamma-secretase Homo sapiens Inhibition = 41 % 16455248
NPT32 Organism Mus musculus Mus musculus Activity = 20 % 16455248
NPT32 Organism Mus musculus Mus musculus Activity = 11 % 16455248
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 6.33 % 16513348
NPT737 Cell Line HUVEC Homo sapiens Inhibition = 35 % 16513348
NPT32 Organism Mus musculus Mus musculus Inhibition = 53 % 17126019
NPT32 Organism Mus musculus Mus musculus Activity = 44.6 % 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 111 mg/dl 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 38 mg/dl 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 228 mg/dl 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 50 % 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 88 % 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -13 ug 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 38 % 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 32 % 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 41 % 17126019
NPT2749 Individual Protein Acetylcholinesterase Rattus norvegicus Inhibition = 20 % 17126019
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 86.07 % 17052805
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 17509888
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1100 nM 17509888
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 326.7 umol/kg 17509888
NPT2 Others Unspecified Ratio IC50 = 2.63 17509888
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 45.8 17509888
NPT2 Others Unspecified IC50 = 27500 nM 17559265
NPT32 Organism Mus musculus Mus musculus Activity = 60 % 17336429
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 33 % 17336429
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 66.8 % 17383186
NPT32 Organism Mus musculus Mus musculus Activity = 50 % 17383186
NPT32 Organism Mus musculus Mus musculus Activity = 75 % 17383186
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 34.3 % 17517512
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 30.3 % 17517512
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 23.9 % 17517512
NPT5638 Individual Protein Dehydrogenase/reductase SDR family member 9 Rattus norvegicus Inhibition = 70.5 % 17517512
NPT5638 Individual Protein Dehydrogenase/reductase SDR family member 9 Rattus norvegicus IC50 = 100000 nM 17517512
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 19.9 % 17517512
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 17.8 % 17517512
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 27.1 % 17517512
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 6900 nM 17517512
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 6200 nM 17517512
NPT2 Others Unspecified Ratio IC50 = 1.1 17517512
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 75 % 17560104
NPT2740 Cell Line Neutrophils IC50 = 32550 nM 17822293
NPT589 Individual Protein Serum albumin Bos taurus IC50 = 3000 nM 18024138
NPT661 Individual Protein Solute carrier family 22 member 6 Mus musculus Ki = 4677.35 nM 17553798
NPT661 Individual Protein Solute carrier family 22 member 6 Mus musculus Ki = 4700 nM 17553798
NPT662 Individual Protein Solute carrier family 22 member 20 Mus musculus Ki = 1122.02 nM 17553798
NPT662 Individual Protein Solute carrier family 22 member 20 Mus musculus Ki = 1100 nM 17553798
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 60 % 17467123
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 41 % 17467123
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 40 % 17467123
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 42 % 17467123
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 44 % 17467123
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 50 % 17467123
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 12 mm 17467123
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens FC = 5.81 18222570
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 92 % 18667305
NPT32 Organism Mus musculus Mus musculus Inhibition = 83.5 % 18667305
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 52 % 19064304
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 63.2 % 1624939
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1030000 nM 9784154
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 18000 nM 9784154
NPT2 Others Unspecified Ratio IC50 = 60 9784154
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 48 % 16038536
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 40 % 16038536
NPT1665 Individual Protein Cyclooxygenase-1 Bos taurus IC50 = 13000 nM 9461646
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 370000 nM 9461646
NPT2 Others Unspecified Ratio IC50 = 28 9461646
NPT1665 Individual Protein Cyclooxygenase-1 Bos taurus IC50 = 18000 nM 9461646
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1030000 nM 9461646
NPT2 Others Unspecified Ratio IC50 = 57 9461646
NPT2688 Organism Sus scrofa Sus scrofa Inhibition < 50 % 18412394
NPT612 Individual Protein Canalicular multispecific organic anion transporter 1 Homo sapiens Activity = 130 % 18457386
NPT613 Individual Protein Solute carrier family 22 member 1 Homo sapiens Inhibition = 6.3 % 18788725
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 80.38 % 18023930
NPT32 Organism Mus musculus Mus musculus Inhibition = 74.1 % 18023930
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 7.79 nmol 18023930
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 42.15 % 17845827
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 42.3 % 17845827
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 42.9 % 17845827
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 60 % 17845827
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 66.14 % 17845827
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 72.86 % 17845827
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 18930406
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1100 nM 18930406
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 327 umol/kg 18930406
NPT5538 Individual Protein Fatty acid-binding protein, liver Rattus norvegicus Ki = 47600 nM 18533710
NPT5538 Individual Protein Fatty acid-binding protein, liver Rattus norvegicus Ki = 448000 nM 18533710
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 67.4 mg/kg 18541424
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 19136259
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 67.4 mg/kg 19136259
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1100 nM 19136259
NPT32 Organism Mus musculus Mus musculus Activity = 50 % 18701196
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 39 % 18701196
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries Inhibition = 76 % 18835505
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries Inhibition = 87 % 18835505
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 96 % 18835505
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 53.26 % 10579873
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 25000 nM 10075763
NPT1665 Individual Protein Cyclooxygenase-1 Bos taurus IC50 = 2900 nM 19296694
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 67.4 mg/kg 19296694
NPT5639 Individual Protein Cyclooxygenase-2 Bos taurus IC50 = 1100 nM 19296694
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 52.15 % 18068271
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 35.65 % 18068271
NPT32 Organism Mus musculus Mus musculus Activity = 23.42 % 18068271
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 19419861
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1100 nM 19419861
NPT2 Others Unspecified Ratio IC50 = 2.4 19419861
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 50 % 19419861
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 80.89 % 18977556
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 90.12 % 18977556
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 65.45 % 18977556
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 46.72 % 18977556
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 36.06 % 18977556
NPT32 Organism Mus musculus Mus musculus Activity = 72.5 % 18977556
NPT2 Others Unspecified Activity = 7.51 nmol 18977556
NPT2 Others Unspecified Activity = 0.608 nmol 19059680
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 89.5 % 19059680
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 80.88 % 19059680
NPT32 Organism Mus musculus Mus musculus Activity = 14.4 s 19059680
NPT32 Organism Mus musculus Mus musculus Activity = 65.06 % 19059680
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 16.7 % 19398345
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 45.8 % 19398345
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 62.5 % 19398345
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 50 % 19398345
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 41.7 % 19398345
NPT32 Organism Mus musculus Mus musculus Activity = 62.55 % 19321237
NPT2 Others Unspecified IC50 = 54300 nM 18950230
NPT2 Others Unspecified IC50 = 12100 nM 18950230
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 70.7 % 19423197
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 92 % 19541393
NPT32 Organism Mus musculus Mus musculus Inhibition = 83.5 % 19541393
NPT32 Organism Mus musculus Mus musculus Activity = 65.06 % 19713009
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.9 19713009
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 39 % 19926172
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 19884005
NPT1665 Individual Protein Cyclooxygenase-1 Bos taurus IC50 = 2900 nM 19884005
NPT2 Others Unspecified Ratio IC50 > 2 19884005
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 327 umol/kg 19884005
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 19500994
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 19500994
NPT2 Others Unspecified Ratio IC50 = 2.64 19500994
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 327 umol/kg 19500994
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 20097072
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 20097072
NPT2 Others Unspecified Ratio IC50 = 2.64 20097072
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 67.4 mg/kg 20097072
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 20045320
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1100 nM 20045320
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 67.4 mg/kg 20045320
NPT1260 Individual Protein Anandamide amidohydrolase Rattus norvegicus IC50 = 240000 nM 20143779
NPT1260 Individual Protein Anandamide amidohydrolase Rattus norvegicus Inhibition = 71 % 20143779
NPT1260 Individual Protein Anandamide amidohydrolase Rattus norvegicus IC50 > 500000 nM 20143779
NPT1260 Individual Protein Anandamide amidohydrolase Rattus norvegicus IC50 = 263026.8 nM 20143779
NPT1260 Individual Protein Anandamide amidohydrolase Rattus norvegicus Inhibition = 100 % 20143779
NPT1260 Individual Protein Anandamide amidohydrolase Rattus norvegicus IC50 = 260000 nM 20143779
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 39 % 19959259
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 42 % 19427713
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 39 % 19427713
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 36 % 19427713
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 25 % 19427713
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 18 % 19427713
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 20 % 19427713
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 52 % 20335039
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 39 % 20188544
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 20202839
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 20202839
NPT139 Cell Line HT-29 Homo sapiens IC50 = 552000 nM 20171760
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 448000 nM 20171760
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 69.52 % 20399543
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 60.66 % 20399543
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 45 % 20399543
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 6.08 % 20399543
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 80000 nM 20503989
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 12000 nM 20503989
NPT2 Others Unspecified IC50 = 200000 nM 20503989
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 20576432
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 20576432
NPT2 Others Unspecified Ratio IC50 = 2.64 20576432
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 327 umol/kg 20576432
NPT32 Organism Mus musculus Mus musculus Inhibition = 73.52 % 20643545
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 82.69 % 20643545
NPT1593 Tissue Liver Rattus norvegicus Activity = 7.51 nmol 20643545
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 140.14 U/ml 20643545
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 34.26 U/ml 20643545
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 11.67 U/ml 20643545
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.74 g/dl 20643545
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.71 g/dl 20643545
NPT2 Others Unspecified IC50 = 27530 nM 20839880
NPT32 Organism Mus musculus Mus musculus Inhibition = 61.2 % 20813431
NPT32 Organism Mus musculus Mus musculus Inhibition = 29.63 % 20813431
NPT32 Organism Mus musculus Mus musculus Inhibition = 64.58 % 20813431
NPT32 Organism Mus musculus Mus musculus Inhibition = 38.58 % 20813431
NPT32 Organism Mus musculus Mus musculus Inhibition = 36.33 % 20813431
NPT32 Organism Mus musculus Mus musculus Inhibition = 23.39 % 20813431
NPT32 Organism Mus musculus Mus musculus Inhibition = 13.18 % 20813431
NPT32 Organism Mus musculus Mus musculus Inhibition = 26.93 % 20813431
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 5.6 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency = 223.9 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 11582.1 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 17782.8 nM PubChem BioAssay data set
NPT32 Organism Mus musculus Mus musculus Inhibition = 51.2 % 21295381
NPT32 Organism Mus musculus Mus musculus Inhibition = 54.3 % 21295381
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 4000 nM 21280601
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1400 nM 21280601
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 327 umol/kg 21280601
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 1337.1 nM PubChem BioAssay data set
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 326.7 umol/kg 21641217
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 21641217
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 21641217
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 42.1 % 21689936
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 55.5 % 21689936
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 72.8 % 21689936
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 63.3 % 21689936
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 0 % 20869876
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 80.3 % 20869876
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 70.3 % 20869876
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 59.5 % 21723119
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 6.08 % 21549457
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 45 % 21549457
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 60.66 % 21549457
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 69.52 % 21549457
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 80000 nM 21873070
NPT2 Others Unspecified IC50 = 200000 nM 21873070
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 12000 nM 21873070
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 67.4 % 21890358
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 21890358
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1100 nM 21890358
NPT2 Others Unspecified Ratio IC50 = 2.64 21890358
NPT2 Others Unspecified Potency 125892.5 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 21331.3 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 15003 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 20587.8 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 21331.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3662.6 nM PubChem BioAssay data set
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 0.7 pm/min/mg 10836148
NPT700 Individual Protein UDP-glucuronosyltransferase 2B10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT701 Individual Protein UDP-glucuronosyltransferase 2B4 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT902 Individual Protein UDP-glucuronosyltransferase 1A4 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT903 Individual Protein UDP-glucuronosyltransferase 1-7 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 80 pm/min/mg 10836148
NPT696 Individual Protein UDP-glucuronosyltransferase 2A1 Homo sapiens Activity = 68 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 212 nM DrugMatrix in vitro pharmacology data
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 25530 nM DrugMatrix in vitro pharmacology data
NPT32 Organism Mus musculus Mus musculus Inhibition = 62 % 21937153
NPT32 Organism Mus musculus Mus musculus Inhibition = 59 % 21937153
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 30.03 % 22225915
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 36.18 % 22225915
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 41.84 % 22225915
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 43.96 % 22225915
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 69.5 % 22305614
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 71.69 % 22305614
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 22148253
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 22148253
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 50 % 22148253
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 300 umol/kg 22148253
NPT2 Others Unspecified Ratio IC50 = 2.63 22148253
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 18.5 % 22475926
NPT32 Organism Mus musculus Mus musculus Inhibition = 8.69 % 22450132
NPT32 Organism Mus musculus Mus musculus Inhibition = 39.13 % 22450132
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1350 nM 22091869
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Ki = 9000 nM 22091869
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries Ki = 9000 nM 22091869
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 38 % 22818081
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 41.6 % 22818081
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 52.7 % 22818081
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 72.3 % 22818081
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 64.4 % 22818081
NPT32 Organism Mus musculus Mus musculus Inhibition = 32.05 % 22901311
NPT433 Subcellular Liver microsomes Homo sapiens Activity = 0 nmol 22931300
NPT1028 Individual Protein Multidrug resistance-associated protein 4 Homo sapiens Activity = 31 % 12835412
NPT665 Individual Protein Solute carrier family 22 member 6 Homo sapiens Activity = 47 % 12130730
NPT1472 Individual Protein Solute carrier family 22 member 11 Homo sapiens Activity = 67.8 % 12130730
NPT1594 Individual Protein Multidrug resistance-associated protein 1 Homo sapiens Activity = 79 % 12835412
NPT877 Individual Protein Solute carrier family 22 member 8 Mus musculus Activity = 80 % 15100168
NPT665 Individual Protein Solute carrier family 22 member 6 Homo sapiens IC50 = 8000 nM 10991954
NPT669 Individual Protein Solute carrier family 22 member 8 Homo sapiens Ki = 1170000 nM 12130730
NPT752 Individual Protein Solute carrier organic anion transporter family member 1A1 Rattus norvegicus Ki = 126000 nM 11883641
NPT305 Individual Protein Solute carrier organic anion transporter family member 1A4 Rattus norvegicus Ki = 2430000 nM 11883641
NPT666 Individual Protein Solute carrier family 22 member 6 Rattus norvegicus Ki = 3500 nM 10220563
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 18.33 % 22982120
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 22.12 % 22982120
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 40.94 % 22982120
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 43.97 % 22982120
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 46.81 % 22982120
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 47.62 % 22982120
NPT32 Organism Mus musculus Mus musculus Inhibition = 8.22 % 22959205
NPT32 Organism Mus musculus Mus musculus Inhibition = 39.13 % 22959205
NPT10 Individual Protein Geminin Homo sapiens Potency 1258.9 nM PubChem BioAssay data set
NPT1417 Individual Protein Transcriptional regulator ERG Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Inhibition = 13.5 % 22541068
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = -6.6 % 22541068
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 47.3 % 22541068
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 36000 nM 23043222
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 5000 nM 23043222
NPT956 Individual Protein Prostaglandin E synthase Homo sapiens Activity = 81.2 % 22992107
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 39 % 10.1007/s00044-011-9899-3
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 76.47 % 10.1007/s00044-011-9909-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 62.5 % 10.1007/s00044-011-9909-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 65.3 % 10.1007/s00044-011-9826-7
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.035 mm3 10.1007/s00044-011-9826-7
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.96 mm3 10.1007/s00044-011-9826-7
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.95 mm3 10.1007/s00044-011-9826-7
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 39 % 10.1007/s00044-011-9850-7
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 76.1 % 10.1007/s00044-011-9606-4
NPT32 Organism Mus musculus Mus musculus Activity = 30.04 % 10.1007/s00044-011-9569-5
NPT32 Organism Mus musculus Mus musculus Activity = 22.53 % 10.1007/s00044-011-9569-5
NPT32 Organism Mus musculus Mus musculus Activity = 11.73 % 10.1007/s00044-011-9569-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 42 % 10.1007/s00044-011-9569-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 39 % 10.1007/s00044-011-9569-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 36 % 10.1007/s00044-011-9569-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 25 % 10.1007/s00044-011-9569-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 18 % 10.1007/s00044-011-9569-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 20 % 10.1007/s00044-011-9569-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 66.65 % 10.1007/s00044-011-9606-4
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 63.55 % 10.1007/s00044-011-9606-4
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 55.38 % 10.1007/s00044-011-9606-4
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 39 % 10.1007/s00044-010-9507-y
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 49 % 10.1007/s00044-009-9290-9
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 11.6 % 10.1007/s00044-009-9290-9
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 108 % 10.1007/s00044-009-9290-9
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 101 % 10.1007/s00044-009-9290-9
NPT89 Individual Protein Seed lipoxygenase-1 Glycine max IC50 = 200000 nM 10.1007/s00044-011-9726-x
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 39 % 10.1007/s00044-010-9410-6
NPT32 Organism Mus musculus Mus musculus Activity = 63.06 % 10.1007/s00044-010-9451-x
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 82.33 % 10.1007/s00044-010-9451-x
NPT32 Organism Mus musculus Mus musculus Inhibition = 19.78 % 10.1007/s00044-009-9202-z
NPT32 Organism Mus musculus Mus musculus Inhibition = 33.03 % 10.1007/s00044-009-9202-z
NPT32 Organism Mus musculus Mus musculus Inhibition = 20.59 % 10.1007/s00044-009-9202-z
NPT32 Organism Mus musculus Mus musculus Inhibition = 30.1 % 10.1007/s00044-009-9202-z
NPT32 Organism Mus musculus Mus musculus Inhibition = 34.51 % 10.1007/s00044-009-9202-z
NPT32 Organism Mus musculus Mus musculus Inhibition = 41.62 % 10.1007/s00044-009-9202-z
NPT32 Organism Mus musculus Mus musculus Inhibition = 32.54 % 10.1007/s00044-009-9202-z
NPT32 Organism Mus musculus Mus musculus Inhibition = 53.51 % 10.1007/s00044-009-9202-z
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 49 % 10.1007/s00044-008-9121-4
NPT32 Organism Mus musculus Mus musculus Inhibition = 62.43 % 10.1007/s00044-010-9389-z
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 62.82 % 10.1007/s00044-010-9389-z
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 58.19 % 10.1007/s00044-010-9389-z
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 53.93 % 10.1007/s00044-010-9389-z
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 56 % 10.1007/s00044-012-0244-2
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 67.14 % 10.1007/s00044-013-0486-7
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 39 % 10.1007/s00044-012-0439-6
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 53.19 % 10.1007/s00044-012-0362-x
NPT32 Organism Mus musculus Mus musculus Inhibition = 40.14 % 10.1007/s00044-012-0362-x
NPT32 Organism Mus musculus Mus musculus Activity = 158.56 % 10.1007/s00044-012-0362-x
NPT32 Organism Mus musculus Mus musculus Inhibition = 84.11 % 10.1007/s00044-012-0362-x
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 34.26 U/ml 10.1007/s00044-012-0329-y
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 140.14 U/ml 10.1007/s00044-012-0329-y
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 69.52 % 10.1007/s00044-012-0217-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 60.66 % 10.1007/s00044-012-0217-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 45 % 10.1007/s00044-012-0217-5
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 6.08 % 10.1007/s00044-012-0217-5
NPT32 Organism Mus musculus Mus musculus Ratio = 1 10.1007/s00044-012-0329-y
NPT29 Organism Rattus norvegicus Rattus norvegicus Ratio = 1 10.1007/s00044-012-0329-y
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 7.51 nmol 10.1007/s00044-012-0329-y
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.71 g/dl 10.1007/s00044-012-0329-y
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.74 g/dl 10.1007/s00044-012-0329-y
NPT32 Organism Mus musculus Mus musculus Inhibition = 73.5 % 10.1007/s00044-012-0329-y
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 82.69 % 10.1007/s00044-012-0329-y
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 78.16 % 10.1007/s00044-012-0329-y
NPT2 Others Unspecified Ratio IC50 = 2.6 23200247
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 23200247
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 23200247
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 39 % 23202484
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 70 % 23651359
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition >= 90 % 23651359
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 290 nM 23651359
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 1860 nM 23651359
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.4 ml 23673015
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.6 ml 23673015
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.7 ml 23673015
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.66 ml 23673015
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 50.4 % 23914900
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 42.7 % 23914900
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 43.5 % 23914900
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 35.8 % 23914900
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 63.3 % 23792319
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 72.8 % 23792319
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 55.5 % 23792319
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 42.1 % 23792319
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 40 % 23792319
NPT32 Organism Mus musculus Mus musculus ED50 = 60.26 umol/kg 23953687
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 111.68 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 98.25 % 23571415
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5169.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 65.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 78134.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12486.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15486.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 277.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55775.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55314.8 nM PubChem BioAssay data set
NPT104 Individual Protein Cerebroside-sulfatase Homo sapiens Potency 8492.1 nM PubChem BioAssay data set
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 100 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 19789.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5011.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17228.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12301.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62581.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6258.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3890 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62064.2 nM PubChem BioAssay data set
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 10 % 458803
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 88 % 458803
NPT581 Individual Protein Cyclooxygenase-2 Mus musculus IC50 = 860 nM 24656662
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 26000 nM 24656662
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 30000 nM 24656662
NPT2 Others Unspecified Ratio IC50 = 0.87 24656662
NPT32 Organism Mus musculus Mus musculus LD50 = 1370 mg/kg 102794
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 15 mg/kg 102794
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 27 mg/kg 102794
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.005 ug 102794
NPT956 Individual Protein Prostaglandin E synthase Homo sapiens ED50 = 0.4 ug/ml 102794
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Inhibition = 54 % 140243
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 56 % 140243
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 25 mg/kg 300806
NPT32 Organism Mus musculus Mus musculus LD50 = 336 mg/kg 300806
NPT32 Organism Mus musculus Mus musculus ED50 = 69 mg/kg 300806
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 2.6 mg/kg 309947
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 5.9 mg/kg 309947
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 28 mg/kg 309947
NPT2 Others Unspecified ED50 = 0.4 ug/ml 309947
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 < 256 mg/kg 309947
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 < 16 mg/kg 309947
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 32.3 % 24763362
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 43.5 % 24763362
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 44 mg/kg 309949
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 17 mg/kg 309949
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 25 mg/kg 926121
NPT472 Individual Protein Vanilloid receptor Homo sapiens Activity = 112 % 25467164
NPT472 Individual Protein Vanilloid receptor Homo sapiens Activity = 103 % 25467164
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 53.8 % 25462274
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 10100 nM 25221653
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 100 % 25221653
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 4300 nM 25221653
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 100 % 25221653
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 60 % 25221653
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.66 ml 25708616
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.7 ml 25708616
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.6 ml 25708616
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.4 ml 25708616
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 30.5 % 25824662
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 41.4 % 25824662
NPT2404 Cell Line SW982 Homo sapiens LD50 = 92.97 nM 26010018
NPT619 Individual Protein Serum albumin Rattus norvegicus Kd = 1470 nM 21071520
NPT1463 Individual Protein Cytochrome P450 2J2 Homo sapiens IC50 > 50000 nM 23033255
NPT71 Cell Line HEK293 Homo sapiens Activity < 5.4 % 20926620
NPT712 Individual Protein Bile salt export pump Rattus norvegicus IC50 = 290900 nM 21965623
NPT713 Individual Protein Bile salt export pump Homo sapiens IC50 = 598600 nM 21965623
NPT2 Others Unspecified Potency 9918.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 707.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 631 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24914 nM PubChem BioAssay data set
NPT32 Organism Mus musculus Mus musculus Inhibition = 29.56 % 26490095
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 36 % 26494261
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 26487917
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 > 10000 nM 26487917
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens IC50 > 10000 nM 26487917
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2900 nM 26691756
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1100 nM 26691756
NPT2 Others Unspecified Ratio IC50 = 2.64 26691756
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 499 umol/kg 26691756
NPT32 Organism Mus musculus Mus musculus Inhibition = 69 % 26796952
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 73 % 26796952
NPT2 Others Unspecified IC50 = 37200 nM 26810835
NPT1476 Protein Family Cyclooxygenase Homo sapiens Inhibition > 70 % 26810835
NPT2 Others Unspecified IC50 = 11200 nM 26711890
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 36 % 26750253
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 90.41 % 26795113
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 73.29 % 26795113
NPT20 Organism Candida albicans Candida albicans MIC = 1000000 nM 26833243
NPT20 Organism Candida albicans Candida albicans MIC = 50000 nM 26833243
NPT554 Organism Candida glabrata Candida glabrata MIC = 200000 nM 26833243
NPT554 Organism Candida glabrata Candida glabrata MIC = 40000 nM 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii MIC = 200000 nM 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii MIC = 20000 nM 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii MIC = 40000 nM 26833243
NPT20 Organism Candida albicans Candida albicans Ratio = 0.05 26833243
NPT20 Organism Candida albicans Candida albicans Ratio = 0.1 26833243
NPT554 Organism Candida glabrata Candida glabrata Ratio = 0.2 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii Ratio = 0.1 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii Ratio = 0.2 26833243
NPT20 Organism Candida albicans Candida albicans Activity = 25.62 % 26833243
NPT20 Organism Candida albicans Candida albicans Activity = 16.26 % 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii Activity = 64.43 % 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii Activity = 53.24 % 26833243
NPT20 Organism Candida albicans Candida albicans Activity = 59.51 % 26833243
NPT20 Organism Candida albicans Candida albicans Activity = 61.43 % 26833243
NPT20 Organism Candida albicans Candida albicans Activity = 60.14 % 26833243
NPT20 Organism Candida albicans Candida albicans Activity = 64.22 % 26833243
NPT554 Organism Candida glabrata Candida glabrata Activity = 57.46 % 26833243
NPT554 Organism Candida glabrata Candida glabrata Activity = 62.33 % 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii Activity = 53.32 % 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii Activity = 52.11 % 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii Activity = 51.31 % 26833243
NPT20 Organism Candida albicans Candida albicans Activity = 22.45 % 26833243
NPT20 Organism Candida albicans Candida albicans Activity = 24.51 % 26833243
NPT554 Organism Candida glabrata Candida glabrata Activity = 57.23 % 26833243
NPT554 Organism Candida glabrata Candida glabrata Activity = 53.44 % 26833243
NPT2578 Organism Pichia guilliermondii Meyerozyma guilliermondii Activity = 56.78 % 26833243
NPT139 Cell Line HT-29 Homo sapiens IC50 > 50000 nM 26750401
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 50000 nM 26750401
NPT2 Others Unspecified IC50 > 50000 nM 26750401
NPT2644 Cell Line UACC-903 Homo sapiens IC50 > 50000 nM 26750401
NPT5559 Individual Protein Potassium channel subfamily K member 2 Homo sapiens Activity = 10 % 26588045

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC274455 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC70940
1.0 High Similarity NPC86670
0.9643 High Similarity NPC322387
0.9167 High Similarity NPC285773
0.908 High Similarity NPC329064
0.8941 High Similarity NPC44830
0.881 High Similarity NPC127343
0.8737 High Similarity NPC304873
0.8721 High Similarity NPC288903
0.8602 High Similarity NPC261947
0.8526 High Similarity NPC217621
0.8523 High Similarity NPC95965
0.8523 High Similarity NPC294134
0.8495 Intermediate Similarity NPC172925
0.8438 Intermediate Similarity NPC128248
0.8438 Intermediate Similarity NPC136810
0.8438 Intermediate Similarity NPC225079
0.8438 Intermediate Similarity NPC133809
0.8384 Intermediate Similarity NPC37914
0.8384 Intermediate Similarity NPC94751
0.8384 Intermediate Similarity NPC142326
0.837 Intermediate Similarity NPC86987
0.8351 Intermediate Similarity NPC25458
0.8316 Intermediate Similarity NPC253423
0.83 Intermediate Similarity NPC249811
0.8295 Intermediate Similarity NPC270507
0.8283 Intermediate Similarity NPC105899
0.8265 Intermediate Similarity NPC329556
0.8247 Intermediate Similarity NPC264728
0.8229 Intermediate Similarity NPC229242
0.8202 Intermediate Similarity NPC267704
0.8182 Intermediate Similarity NPC323103
0.8182 Intermediate Similarity NPC329282
0.8182 Intermediate Similarity NPC103387
0.8172 Intermediate Similarity NPC317645
0.8172 Intermediate Similarity NPC110704
0.8155 Intermediate Similarity NPC66208
0.8152 Intermediate Similarity NPC9822
0.814 Intermediate Similarity NPC103488
0.8125 Intermediate Similarity NPC477767
0.8125 Intermediate Similarity NPC226041
0.8065 Intermediate Similarity NPC84288
0.8061 Intermediate Similarity NPC473325
0.8058 Intermediate Similarity NPC475002
0.8058 Intermediate Similarity NPC95126
0.8041 Intermediate Similarity NPC120393
0.8021 Intermediate Similarity NPC469893
0.8021 Intermediate Similarity NPC61944
0.8 Intermediate Similarity NPC471721
0.7959 Intermediate Similarity NPC221825
0.7955 Intermediate Similarity NPC285716
0.7955 Intermediate Similarity NPC121800
0.7955 Intermediate Similarity NPC17408
0.7955 Intermediate Similarity NPC157055
0.7938 Intermediate Similarity NPC469891
0.7938 Intermediate Similarity NPC469890
0.7938 Intermediate Similarity NPC469892
0.7931 Intermediate Similarity NPC224544
0.7925 Intermediate Similarity NPC186933
0.7921 Intermediate Similarity NPC471186
0.79 Intermediate Similarity NPC255676
0.79 Intermediate Similarity NPC247976
0.7879 Intermediate Similarity NPC469481
0.7872 Intermediate Similarity NPC62765
0.7864 Intermediate Similarity NPC318327
0.7857 Intermediate Similarity NPC271475
0.7857 Intermediate Similarity NPC160548
0.7857 Intermediate Similarity NPC175852
0.7857 Intermediate Similarity NPC210529
0.7857 Intermediate Similarity NPC155429
0.7843 Intermediate Similarity NPC83409
0.7843 Intermediate Similarity NPC244933
0.7843 Intermediate Similarity NPC185763
0.7843 Intermediate Similarity NPC85560
0.7841 Intermediate Similarity NPC170484
0.7826 Intermediate Similarity NPC474211
0.78 Intermediate Similarity NPC475978
0.78 Intermediate Similarity NPC284477
0.78 Intermediate Similarity NPC474820
0.7791 Intermediate Similarity NPC189371
0.7778 Intermediate Similarity NPC7435
0.7778 Intermediate Similarity NPC230068
0.7757 Intermediate Similarity NPC221275
0.7745 Intermediate Similarity NPC172483
0.7736 Intermediate Similarity NPC93287
0.7723 Intermediate Similarity NPC160382
0.7723 Intermediate Similarity NPC274443
0.7717 Intermediate Similarity NPC474354
0.7714 Intermediate Similarity NPC474057
0.7708 Intermediate Similarity NPC323164
0.77 Intermediate Similarity NPC94487
0.77 Intermediate Similarity NPC282895
0.77 Intermediate Similarity NPC52472
0.767 Intermediate Similarity NPC100767
0.766 Intermediate Similarity NPC477704
0.766 Intermediate Similarity NPC477693
0.7647 Intermediate Similarity NPC19136
0.7647 Intermediate Similarity NPC472221
0.7647 Intermediate Similarity NPC472222
0.7642 Intermediate Similarity NPC292834
0.7634 Intermediate Similarity NPC93843
0.7634 Intermediate Similarity NPC318107
0.7624 Intermediate Similarity NPC222390
0.7624 Intermediate Similarity NPC244427
0.7615 Intermediate Similarity NPC212891
0.7614 Intermediate Similarity NPC298023
0.7609 Intermediate Similarity NPC168855
0.7604 Intermediate Similarity NPC141607
0.7604 Intermediate Similarity NPC187725
0.76 Intermediate Similarity NPC245561
0.76 Intermediate Similarity NPC203925
0.76 Intermediate Similarity NPC476042
0.76 Intermediate Similarity NPC146351
0.76 Intermediate Similarity NPC228435
0.7596 Intermediate Similarity NPC112903
0.7593 Intermediate Similarity NPC476357
0.7579 Intermediate Similarity NPC1793
0.7579 Intermediate Similarity NPC220893
0.7573 Intermediate Similarity NPC321670
0.7558 Intermediate Similarity NPC285679
0.7551 Intermediate Similarity NPC130398
0.7549 Intermediate Similarity NPC13426
0.7545 Intermediate Similarity NPC160199
0.7545 Intermediate Similarity NPC45794
0.7527 Intermediate Similarity NPC252067
0.7525 Intermediate Similarity NPC70624
0.7524 Intermediate Similarity NPC85493
0.75 Intermediate Similarity NPC109241
0.75 Intermediate Similarity NPC225060
0.75 Intermediate Similarity NPC477770
0.75 Intermediate Similarity NPC78701
0.75 Intermediate Similarity NPC317280
0.75 Intermediate Similarity NPC35448
0.75 Intermediate Similarity NPC153053
0.75 Intermediate Similarity NPC329387
0.7477 Intermediate Similarity NPC471188
0.7477 Intermediate Similarity NPC328694
0.7477 Intermediate Similarity NPC321852
0.7477 Intermediate Similarity NPC471189
0.7473 Intermediate Similarity NPC133050
0.7473 Intermediate Similarity NPC145053
0.7471 Intermediate Similarity NPC108218
0.7451 Intermediate Similarity NPC188895
0.7449 Intermediate Similarity NPC261181
0.7449 Intermediate Similarity NPC34243
0.7442 Intermediate Similarity NPC74458
0.7431 Intermediate Similarity NPC93181
0.7429 Intermediate Similarity NPC21929
0.7429 Intermediate Similarity NPC228737
0.7426 Intermediate Similarity NPC280869
0.7426 Intermediate Similarity NPC12730
0.7426 Intermediate Similarity NPC325497
0.7423 Intermediate Similarity NPC133461
0.7411 Intermediate Similarity NPC472708
0.7407 Intermediate Similarity NPC128368
0.7407 Intermediate Similarity NPC143768
0.7404 Intermediate Similarity NPC13495
0.74 Intermediate Similarity NPC270654
0.74 Intermediate Similarity NPC249912
0.74 Intermediate Similarity NPC324569
0.74 Intermediate Similarity NPC156021
0.74 Intermediate Similarity NPC276775
0.74 Intermediate Similarity NPC293628
0.74 Intermediate Similarity NPC92754
0.74 Intermediate Similarity NPC289201
0.74 Intermediate Similarity NPC10781
0.74 Intermediate Similarity NPC122493
0.7396 Intermediate Similarity NPC231591
0.7383 Intermediate Similarity NPC265513
0.7383 Intermediate Similarity NPC260818
0.7374 Intermediate Similarity NPC206764
0.7368 Intermediate Similarity NPC69057
0.7368 Intermediate Similarity NPC167323
0.7368 Intermediate Similarity NPC269923
0.7368 Intermediate Similarity NPC89377
0.7368 Intermediate Similarity NPC25168
0.7364 Intermediate Similarity NPC9274
0.7363 Intermediate Similarity NPC477703
0.7363 Intermediate Similarity NPC328178
0.7363 Intermediate Similarity NPC190567
0.7358 Intermediate Similarity NPC31274
0.7347 Intermediate Similarity NPC314690
0.7347 Intermediate Similarity NPC153885
0.7345 Intermediate Similarity NPC183339
0.7345 Intermediate Similarity NPC133389
0.7345 Intermediate Similarity NPC234337
0.734 Intermediate Similarity NPC475710
0.7339 Intermediate Similarity NPC294458
0.7333 Intermediate Similarity NPC50192
0.7333 Intermediate Similarity NPC317592
0.7327 Intermediate Similarity NPC260000
0.7327 Intermediate Similarity NPC145052
0.732 Intermediate Similarity NPC26224
0.732 Intermediate Similarity NPC258627
0.7315 Intermediate Similarity NPC82899
0.7315 Intermediate Similarity NPC280789
0.7315 Intermediate Similarity NPC270699
0.7312 Intermediate Similarity NPC197581
0.7308 Intermediate Similarity NPC31786
0.7297 Intermediate Similarity NPC158157

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC274455 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD1086 Approved
1.0 High Similarity NPD1090 Approved
1.0 High Similarity NPD1089 Approved
0.9881 High Similarity NPD800 Approved
0.9767 High Similarity NPD1088 Approved
0.9643 High Similarity NPD1087 Approved
0.9545 High Similarity NPD1693 Approved
0.9205 High Similarity NPD1239 Approved
0.9167 High Similarity NPD9491 Approved
0.913 High Similarity NPD2066 Phase 3
0.9121 High Similarity NPD1566 Phase 3
0.9121 High Similarity NPD1565 Approved
0.9121 High Similarity NPD1564 Approved
0.8791 High Similarity NPD1563 Approved
0.8764 High Similarity NPD5347 Phase 2
0.8764 High Similarity NPD5346 Phase 2
0.8706 High Similarity NPD226 Approved
0.869 High Similarity NPD9490 Approved
0.8602 High Similarity NPD1989 Approved
0.8587 High Similarity NPD5122 Clinical (unspecified phase)
0.8539 High Similarity NPD4793 Discontinued
0.8495 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.8353 Intermediate Similarity NPD227 Approved
0.8353 Intermediate Similarity NPD225 Approved
0.8265 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.8265 Intermediate Similarity NPD1929 Approved
0.8265 Intermediate Similarity NPD1930 Approved
0.8261 Intermediate Similarity NPD3672 Approved
0.8261 Intermediate Similarity NPD3673 Approved
0.798 Intermediate Similarity NPD1932 Approved
0.7872 Intermediate Similarity NPD9258 Approved
0.7872 Intermediate Similarity NPD9256 Approved
0.7864 Intermediate Similarity NPD2329 Discontinued
0.7857 Intermediate Similarity NPD9495 Approved
0.7857 Intermediate Similarity NPD253 Approved
0.7849 Intermediate Similarity NPD1101 Approved
0.783 Intermediate Similarity NPD1280 Clinical (unspecified phase)
0.7788 Intermediate Similarity NPD1317 Discontinued
0.7757 Intermediate Similarity NPD5951 Approved
0.7692 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7664 Intermediate Similarity NPD2652 Approved
0.7664 Intermediate Similarity NPD2650 Approved
0.7653 Intermediate Similarity NPD5206 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD5909 Discontinued
0.7634 Intermediate Similarity NPD9257 Approved
0.7634 Intermediate Similarity NPD9259 Approved
0.76 Intermediate Similarity NPD3097 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD3643 Approved
0.7547 Intermediate Similarity NPD3644 Approved
0.7547 Intermediate Similarity NPD3642 Approved
0.7449 Intermediate Similarity NPD1409 Phase 3
0.7449 Intermediate Similarity NPD1202 Approved
0.7449 Intermediate Similarity NPD1066 Discontinued
0.7431 Intermediate Similarity NPD2629 Approved
0.7411 Intermediate Similarity NPD1245 Approved
0.7407 Intermediate Similarity NPD1279 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD9566 Approved
0.7383 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD6647 Phase 2
0.7379 Intermediate Similarity NPD5765 Approved
0.7345 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6685 Approved
0.7308 Intermediate Similarity NPD164 Approved
0.729 Intermediate Similarity NPD1752 Approved
0.729 Intermediate Similarity NPD4233 Approved
0.729 Intermediate Similarity NPD4234 Approved
0.729 Intermediate Similarity NPD1756 Approved
0.7273 Intermediate Similarity NPD1246 Approved
0.7222 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD2182 Approved
0.7193 Intermediate Similarity NPD5306 Approved
0.7193 Intermediate Similarity NPD5305 Approved
0.7182 Intermediate Similarity NPD1370 Approved
0.7182 Intermediate Similarity NPD1371 Approved
0.7182 Intermediate Similarity NPD1374 Approved
0.7182 Intermediate Similarity NPD1373 Approved
0.7172 Intermediate Similarity NPD7631 Approved
0.7158 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD9508 Approved
0.7143 Intermediate Similarity NPD1237 Approved
0.713 Intermediate Similarity NPD3646 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5278 Discontinued
0.7128 Intermediate Similarity NPD3971 Phase 1
0.7117 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD4766 Approved
0.7113 Intermediate Similarity NPD531 Approved
0.7105 Intermediate Similarity NPD5981 Approved
0.7105 Intermediate Similarity NPD1855 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD4105 Approved
0.7105 Intermediate Similarity NPD4102 Approved
0.7091 Intermediate Similarity NPD181 Approved
0.7091 Intermediate Similarity NPD5277 Phase 2
0.7091 Intermediate Similarity NPD2607 Approved
0.7087 Intermediate Similarity NPD1238 Approved
0.7087 Intermediate Similarity NPD1067 Discontinued
0.7075 Intermediate Similarity NPD1018 Approved
0.7075 Intermediate Similarity NPD5048 Discontinued
0.7071 Intermediate Similarity NPD530 Approved
0.7071 Intermediate Similarity NPD7609 Phase 3
0.7069 Intermediate Similarity NPD4217 Approved
0.7069 Intermediate Similarity NPD2611 Approved
0.7069 Intermediate Similarity NPD4216 Approved
0.7069 Intermediate Similarity NPD3131 Approved
0.7069 Intermediate Similarity NPD4807 Approved
0.7069 Intermediate Similarity NPD4215 Approved
0.7069 Intermediate Similarity NPD4218 Approved
0.7069 Intermediate Similarity NPD3132 Approved
0.7069 Intermediate Similarity NPD2609 Approved
0.7069 Intermediate Similarity NPD2612 Approved
0.7069 Intermediate Similarity NPD4806 Approved
0.7069 Intermediate Similarity NPD2608 Approved
0.7069 Intermediate Similarity NPD2610 Approved
0.7064 Intermediate Similarity NPD189 Phase 3
0.7064 Intermediate Similarity NPD188 Approved
0.7059 Intermediate Similarity NPD3495 Discontinued
0.7043 Intermediate Similarity NPD2345 Approved
0.7034 Intermediate Similarity NPD1283 Approved
0.703 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD9260 Approved
0.703 Intermediate Similarity NPD4814 Discontinued
0.703 Intermediate Similarity NPD6049 Phase 2
0.7027 Intermediate Similarity NPD3598 Phase 3
0.701 Intermediate Similarity NPD650 Approved
0.7009 Intermediate Similarity NPD467 Phase 1
0.7 Intermediate Similarity NPD9716 Approved
0.6991 Remote Similarity NPD4574 Approved
0.6991 Remote Similarity NPD4576 Approved
0.6989 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6983 Remote Similarity NPD4135 Approved
0.6983 Remote Similarity NPD4106 Approved
0.6983 Remote Similarity NPD4136 Approved
0.6972 Remote Similarity NPD2067 Discontinued
0.6957 Remote Similarity NPD6994 Approved
0.6957 Remote Similarity NPD6993 Approved
0.6949 Remote Similarity NPD182 Clinical (unspecified phase)
0.6937 Remote Similarity NPD6858 Approved
0.6937 Remote Similarity NPD7094 Approved
0.6931 Remote Similarity NPD719 Approved
0.6931 Remote Similarity NPD720 Approved
0.6931 Remote Similarity NPD845 Approved
0.693 Remote Similarity NPD7610 Discontinued
0.6923 Remote Similarity NPD7798 Approved
0.6923 Remote Similarity NPD5618 Discontinued
0.6916 Remote Similarity NPD1040 Phase 2
0.6915 Remote Similarity NPD942 Approved
0.6903 Remote Similarity NPD255 Approved
0.6903 Remote Similarity NPD256 Approved
0.6903 Remote Similarity NPD4198 Discontinued
0.6897 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6897 Remote Similarity NPD4199 Phase 3
0.6893 Remote Similarity NPD288 Approved
0.6881 Remote Similarity NPD476 Approved
0.687 Remote Similarity NPD4479 Discontinued
0.687 Remote Similarity NPD7009 Phase 2
0.6864 Remote Similarity NPD1608 Approved
0.6848 Remote Similarity NPD9294 Approved
0.6847 Remote Similarity NPD6912 Phase 3
0.6842 Remote Similarity NPD3797 Approved
0.6833 Remote Similarity NPD6563 Approved
0.6833 Remote Similarity NPD6564 Approved
0.6833 Remote Similarity NPD6565 Approved
0.6832 Remote Similarity NPD752 Approved
0.6796 Remote Similarity NPD844 Approved
0.6789 Remote Similarity NPD9267 Approved
0.6789 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6789 Remote Similarity NPD9264 Approved
0.6789 Remote Similarity NPD9263 Approved
0.678 Remote Similarity NPD1281 Approved
0.6774 Remote Similarity NPD7715 Approved
0.6774 Remote Similarity NPD7714 Approved
0.6765 Remote Similarity NPD3718 Approved
0.6765 Remote Similarity NPD3719 Approved
0.6762 Remote Similarity NPD3020 Approved
0.6752 Remote Similarity NPD3019 Approved
0.6752 Remote Similarity NPD2932 Approved
0.6748 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7008 Discontinued
0.6729 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6727 Remote Similarity NPD74 Approved
0.6727 Remote Similarity NPD9266 Approved
0.6726 Remote Similarity NPD1681 Approved
0.6726 Remote Similarity NPD6010 Discontinued
0.6726 Remote Similarity NPD1682 Approved
0.6726 Remote Similarity NPD1680 Approved
0.6724 Remote Similarity NPD3798 Phase 3
0.6721 Remote Similarity NPD3664 Approved
0.6721 Remote Similarity NPD3662 Phase 3
0.6721 Remote Similarity NPD3661 Approved
0.6721 Remote Similarity NPD3663 Approved
0.6699 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6698 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6696 Remote Similarity NPD5162 Approved
0.6696 Remote Similarity NPD9493 Approved
0.6696 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6695 Remote Similarity NPD4879 Approved
0.6694 Remote Similarity NPD2797 Approved
0.6667 Remote Similarity NPD5240 Approved
0.6667 Remote Similarity NPD5239 Approved
0.6667 Remote Similarity NPD9538 Approved

Structure

External Identifiers

PubChem CID   3672
ChEMBL   CHEMBL521
ZINC  

Physicochemical Properties

Molecular Weight:  206.13
ALogP:  0.9491
MLogP:  2.67
XLogP:  5.342
# Rotatable Bonds:  8
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  15

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