Natural Product: NPC111088

Natural Product ID:  NPC111088
Common Name:   Naproxen
IUPAC Name:   (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
Synonyms:   Aleve; Anaprox; Arthrosin 250; Arthrosin 250 EC; Arthrosin 500; Arthrosin 500 EC; Condrotec; Ec-Naprosyn; Equiproxen; Feminax Ultra; Grenoxal; Kenosyn; Laraflex; Napratec OP; Naprelan; Naprosyn; Naprosyn 375; Naprosyn EC; Naproxen; Nycopren; Pranoxen Continus; Prosaid; Rheuflex 250; Rheuflex 500; Rimoxyn; RS-3540; Stirlescent; Timpron; Timpron 250 EC; Timpron 500 EC; Valrox; Vimovo
Molecular Formula:   C14H14O3
Standard InCHIKey:  CMWTZPSULFXXJA-VIFPVBQESA-N
Standard InCHI:  InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
Canonical SMILES:  COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)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[11925405]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 15 mg/kg 6608000
NPT29 Organism Rattus norvegicus Rattus norvegicus ED40 = 10 mg/kg 6608000
NPT29 Organism Rattus norvegicus Rattus norvegicus ED30 = 11 mg/kg 2724294
NPT32 Organism Mus musculus Mus musculus ED50 = 7 mg/kg 2724294
NPT32 Organism Mus musculus Mus musculus ED50 = 0.2 mg/kg 2724294
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1 mg/kg 2724294
NPT2 Others Unspecified Ratio = 22 2724294
NPT1386 Protein Family Adrenergic receptor beta Homo sapiens Activity = -5.21 10.1016/S0960-894X(97)00046-2
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.94 mg/kg 10956225
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 66 mg/kg 10956225
NPT2 Others Unspecified Kd = 26000 nM 10821711
NPT32 Organism Mus musculus Mus musculus ED50 = 1.3 mg/kg 9544212
NPT4280 Individual Protein Prostaglandin-H2 D-isomerase Mus musculus IC50 = 13000 nM 1900533
NPT2 Others Unspecified IC50 > 50 ug 9925732
NPT1559 Protein Family Cyclooxygenase Rattus norvegicus ED50 = 0.94 mg/kg 9171873
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 2700 nM 7562922
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 9700 nM 7562922
NPT1476 Protein Family Cyclooxygenase Homo sapiens Ratio = 0.3 7562922
NPT521 Cell Line RBL-2H3 Rattus norvegicus Inhibition > 10000 nM 1635053
NPT183 Individual Protein Arachidonate 5-lipoxygenase Rattus norvegicus Inhibition > 20000 nM 1635053
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 53.7 2113951
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.99 mg/kg 15013005
NPT32 Organism Mus musculus Mus musculus ID50 = 140 mg/kg 6218302
NPT32 Organism Mus musculus Mus musculus ID50 = 411 mg/kg 6218302
NPT32 Organism Mus musculus Mus musculus LD50 = 1200 mg/kg 6218302
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 24.4 mg/kg 3086558
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 14 % 3086558
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 44 % 3086558
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 58 % 3086558
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 27 % 3086558
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 50 % 3086558
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 70 % 3086558
NPT1559 Protein Family Cyclooxygenase Rattus norvegicus IC50 = 60 nM 3086558
NPT183 Individual Protein Arachidonate 5-lipoxygenase Rattus norvegicus IC50 = 17000 nM 9057869
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 3200 nM 9057869
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 2500 nM 9057869
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 21000 nM 8831759
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 14 mg/kg 12540240
NPT32 Organism Mus musculus Mus musculus ED50 = 1.3 mg/kg 9544211
NPT875 Organism Bos taurus Bos taurus IC50 > 30000 nM 7932530
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 350 nM 10.1016/0960-894X(96)00412-X
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 24300 nM 10.1016/0960-894X(96)00412-X
NPT32 Organism Mus musculus Mus musculus ED50 = 12 mg/kg 6972450
NPT32 Organism Mus musculus Mus musculus ED50 = 3 mg/kg 6972450
NPT32 Organism Mus musculus Mus musculus LD50 > 1000 mg/kg 6972450
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 11000 nM 10649977
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 18900 nM 10649977
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 5.2 mg/kg 10649977
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 6.1 mg/kg 10649977
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.8 mg/kg 10649977
NPT1476 Protein Family Cyclooxygenase Homo sapiens Ratio = 0.6 10649977
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.94 mg/kg 9135032
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.6 mg/kg 9135032
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 66 % 9135032
NPT29 Organism Rattus norvegicus Rattus norvegicus Mortality = 50 % 15203134
NPT29 Organism Rattus norvegicus Rattus norvegicus ED30 = 11 mg/kg 3572970
NPT32 Organism Mus musculus Mus musculus ED50 = 7 mg/kg 3572970
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.2 mg/kg 3572970
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1 mg/kg 3572970
NPT2 Others Unspecified Therapeutic index = 22 3572970
NPT875 Organism Bos taurus Bos taurus IC50 > 30000 nM 10.1016/S0960-894X(01)80782-4
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.3 mg/kg 9719605
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 54 % 9719605
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition < 50 % 15369391
NPT3781 Protein Family Interleukin-8 receptors, CXCR1/CXCR2 Homo sapiens Inhibition = 35 % 15974585
NPT3782 Protein Family Prostaglandin G/H synthase (cyclooxygenase) Mus musculus Inhibition > 99 % 15974585
NPT3504 Individual Protein Aldo-keto-reductase family 1 member C3 Homo sapiens IC50 = 480 nM 16183274
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 51 % 16309906
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 28.7 % 16309906
NPT4149 Protein Complex Gamma-secretase Homo sapiens Inhibition = 3 % 16455248
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 68.3 % 17201408
NPT113 Cell Line RAW264.7 Mus musculus Activity = 5.70E-05 ug/ml 17383881
NPT113 Cell Line RAW264.7 Mus musculus Activity = 7.00E-05 ug/ml 17383881
NPT113 Cell Line RAW264.7 Mus musculus Activity = 0.000119 ug/ml 17383881
NPT113 Cell Line RAW264.7 Mus musculus Activity = 0.000106 ug/ml 17383881
NPT113 Cell Line RAW264.7 Mus musculus Activity = 7.50E-05 ug/ml 17383881
NPT113 Cell Line RAW264.7 Mus musculus Activity = 8.10E-05 ug/ml 17383881
NPT113 Cell Line RAW264.7 Mus musculus Ratio = 1 17383881
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 81.81 % 17576062
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 73.5 % 17576062
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 9.04 nmol 17576062
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 39.3 % 18191402
NPT32 Organism Mus musculus Mus musculus Inhibition = 66.9 % 19272777
NPT32 Organism Mus musculus Mus musculus Activity = 49.2 10'5/cm'3 19272777
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 1010000 nM 9784154
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 11000 nM 9784154
NPT2 Others Unspecified Ratio IC50 = 100 9784154
NPT1665 Individual Protein Cyclooxygenase-1 Bos taurus IC50 = 11000 nM 9461646
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 1015000 nM 9461646
NPT2 Others Unspecified Ratio IC50 = 96 9461646
NPT2 Others Unspecified Inhibition = 9 % 18482840
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 50 % 18498150
NPT4281 Cell Line MC9 Mus musculus IC50 = 200 nM 18498150
NPT4281 Cell Line MC9 Mus musculus IC50 = 330 nM 18498150
NPT612 Individual Protein Canalicular multispecific organic anion transporter 1 Homo sapiens Activity = 92 % 18457386
NPT4064 Individual Protein Hormone-sensitive lipase Rattus norvegicus IC50 = 1200 nM 18808096
NPT4064 Individual Protein Hormone-sensitive lipase Rattus norvegicus Inhibition = 64 % 18808096
NPT4281 Cell Line MC9 Mus musculus Inhibition = 50 % 19178292
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 50 % 19178292
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 72 % 18473477
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 86 % 18473477
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 57.96 % 10579873
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 11000 nM 10075763
NPT32 Organism Mus musculus Mus musculus Activity = 59 % 16872141
NPT32 Organism Mus musculus Mus musculus Inhibition = 28 % 16872141
NPT32 Organism Mus musculus Mus musculus Inhibition = 21 % 16872141
NPT32 Organism Mus musculus Mus musculus Inhibition = 18 % 16872141
NPT32 Organism Mus musculus Mus musculus Inhibition = 45 % 16872141
NPT32 Organism Mus musculus Mus musculus Inhibition = 25 % 16872141
NPT32 Organism Mus musculus Mus musculus Inhibition = 36 % 16872141
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 9.4 % 19398345
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 16.3 % 19398345
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 28.1 % 19398345
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 46.9 % 19398345
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 37.5 % 19398345
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 18.8 % 19398345
NPT2 Others Unspecified Ki = 5.7 nM 20036557
NPT605 Organism Homo sapiens Homo sapiens Activity = 0.99 % 20022146
NPT2 Others Unspecified IC50 = 24000 nM 20888243
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 51 % 20888243
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 18356.4 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 794.3 nM PubChem BioAssay data set
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 180 nM 21280601
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 12400 nM 21280601
NPT29 Organism Rattus norvegicus Rattus norvegicus ID50 = 29.7 umol/kg 21280601
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 756.9 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 6 nM PubChem BioAssay data set
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens AC50 = 10000 nM PubChem BioAssay data set
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 23.9 % 21420857
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 24.7 % 20869876
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 91.3 % 20869876
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 38.8 % 20869876
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 79.9 % 20869876
NPT2 Others Unspecified Ki = 5.7 nM 21802289
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 1.8 pm/min/mg 10836148
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT694 Individual Protein UDP-glucuronosyltransferase 1-3 Homo sapiens Activity = 39 pm/min/mg 10836148
NPT902 Individual Protein UDP-glucuronosyltransferase 1A4 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 40 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
NPT2 Others Unspecified Ki = 172000 nM 15781124
NPT2 Others Unspecified Ki = 1100000 nM 15781124
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 = 211 nM DrugMatrix in vitro pharmacology data
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 17001 nM DrugMatrix in vitro pharmacology data
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 19500 nM 22119153
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 68 % 22119153
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 71.7 % 22222039
NPT433 Subcellular Liver microsomes Homo sapiens Activity = 0.028 nmol 22931300
NPT305 Individual Protein Solute carrier organic anion transporter family member 1A4 Rattus norvegicus Activity = 52.2 % 11883641
NPT752 Individual Protein Solute carrier organic anion transporter family member 1A1 Rattus norvegicus Activity = 19.9 % 11883641
NPT665 Individual Protein Solute carrier family 22 member 6 Homo sapiens IC50 = 5800 nM 10991954
NPT666 Individual Protein Solute carrier family 22 member 6 Rattus norvegicus Ki = 2000 nM 10220563
NPT3507 Individual Protein Aldo-keto reductase family 1 member C2 Homo sapiens IC50 = 31300 nM 22877157
NPT3504 Individual Protein Aldo-keto-reductase family 1 member C3 Homo sapiens IC50 = 1100 nM 22877157
NPT3506 Individual Protein Aldo-keto reductase family 1 member C4 Homo sapiens IC50 > 100000 nM 22877157
NPT3505 Individual Protein Aldo-keto reductase family 1 member C1 Homo sapiens IC50 > 100000 nM 22877157
NPT32 Organism Mus musculus Mus musculus Activity = 67 % 23098566
NPT32 Organism Mus musculus Mus musculus Activity = 60 % 23098566
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 47 % 23098566
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 7.83 nmol 23059546
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 81.23 % 23059546
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 78.84 % 23059546
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 88 % 10.1007/s00044-011-9726-x
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 52 % 10.1007/s00044-011-9726-x
NPT89 Individual Protein Seed lipoxygenase-1 Glycine max IC50 = 220000 nM 10.1007/s00044-011-9726-x
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 51 % 10.1007/s00044-011-9726-x
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 58 % 10.1007/s00044-010-9364-8
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 42 % 10.1007/s00044-010-9364-8
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 32 % 10.1007/s00044-010-9364-8
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 10 % 10.1007/s00044-010-9364-8
NPT32 Organism Mus musculus Mus musculus Inhibition = 61.36 % 10.1007/s00044-010-9364-8
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 49000 nM 23219856
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 46 % 23219856
NPT2 Others Unspecified Ratio IC50 = 0.01 23200247
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 12400 nM 23200247
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 180 nM 23200247
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 65 % 23219856
NPT32 Organism Mus musculus Mus musculus Activity = 51 % 23581491
NPT938 Organism Cavia porcellus Cavia porcellus Inhibition = 60 % 23260349
NPT32 Organism Mus musculus Mus musculus Inhibition = 30.63 % 23719287
NPT32 Organism Mus musculus Mus musculus ED50 = 21.76 umol/kg 23953687
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 114.77 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 103.46 % 23571415
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.25 ml 24273639
NPT2 Others Unspecified IC50 = 2450000 nM 24273639
NPT83 Cell Line MCF7 Homo sapiens IC50 = 2385000 nM 24273639
NPT15 Cell Line Jurkat Homo sapiens IC50 = 2550000 nM 24273639
NPT139 Cell Line HT-29 Homo sapiens IC50 = 2600000 nM 24273639
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 15 pg/mg 24273639
NPT2 Others Unspecified Potency 54941 nM PubChem BioAssay data set
NPT104 Individual Protein Cerebroside-sulfatase Homo sapiens Potency 8492.1 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 43641.2 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15355.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7943.3 nM PubChem BioAssay data set
NPT32 Organism Mus musculus Mus musculus Activity = 84.1 % 24569111
NPT32 Organism Mus musculus Mus musculus Inhibition = 36.65 % 24569111
NPT1665 Individual Protein Cyclooxygenase-1 Bos taurus Inhibition = 30 % 24568631
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 55 % 24568631
NPT2 Others Unspecified IC50 = 24000 nM 24568631
NPT32 Organism Mus musculus Mus musculus Inhibition = 51 % 24568631
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Inhibition = 55 % 140243
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 65 % 660585
NPT1016 Organism Canis familiaris Canis lupus familiaris ED50 = 13 mg/kg 309946
NPT29 Organism Rattus norvegicus Rattus norvegicus FC = 0.14 309946
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 2.1 mg/kg 950647
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 28 mg/kg 950647
NPT29 Organism Rattus norvegicus Rattus norvegicus Ratio ED50 = 13 950647
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 46 % 722734
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 30 % 722734
NPT472 Individual Protein Vanilloid receptor Homo sapiens Activity = 109 % 25467164
NPT472 Individual Protein Vanilloid receptor Homo sapiens Activity = 107 % 25467164
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 580 mm2 25466180
NPT32 Organism Mus musculus Mus musculus Activity = 49.2 % 25868745
NPT32 Organism Mus musculus Mus musculus Activity = 53.3 % 25868745
NPT2 Others Unspecified EC50 = 756000 nM 25863493
NPT32 Organism Mus musculus Mus musculus Inhibition = 36 % 25863493
NPT1463 Individual Protein Cytochrome P450 2J2 Homo sapiens IC50 > 50000 nM 23033255
NPT71 Cell Line HEK293 Homo sapiens Activity < 5.4 % 20926620
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 11 % 26494261
NPT1476 Protein Family Cyclooxygenase Homo sapiens Inhibition > 70 % 26810835
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 11 % 26750253
NPT32 Organism Mus musculus Mus musculus Activity = 46 % 10.1039/C5MD00308C
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

  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 NPC111088 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
0.9076 High Similarity NPC328694
0.8974 High Similarity NPC109241
0.8769 High Similarity NPC213122
0.8632 High Similarity NPC234639
0.8618 High Similarity NPC478121
0.8605 High Similarity NPC470725
0.8571 High Similarity NPC75432
0.856 High Similarity NPC121168
0.8473 Intermediate Similarity NPC183103
0.8468 Intermediate Similarity NPC103916
0.8438 Intermediate Similarity NPC474737
0.84 Intermediate Similarity NPC241001
0.8376 Intermediate Similarity NPC1065
0.8372 Intermediate Similarity NPC428300
0.837 Intermediate Similarity NPC475104
0.8361 Intermediate Similarity NPC322358
0.8346 Intermediate Similarity NPC274876
0.8346 Intermediate Similarity NPC27394
0.8333 Intermediate Similarity NPC312560
0.8321 Intermediate Similarity NPC475102
0.8306 Intermediate Similarity NPC63010
0.8306 Intermediate Similarity NPC205502
0.8295 Intermediate Similarity NPC177925
0.8273 Intermediate Similarity NPC471305
0.8273 Intermediate Similarity NPC260152
0.8258 Intermediate Similarity NPC258073
0.8254 Intermediate Similarity NPC129176
0.8248 Intermediate Similarity NPC29599
0.8244 Intermediate Similarity NPC206028
0.824 Intermediate Similarity NPC42657
0.8226 Intermediate Similarity NPC25648
0.8222 Intermediate Similarity NPC471670
0.8211 Intermediate Similarity NPC51345
0.8205 Intermediate Similarity NPC241224
0.8189 Intermediate Similarity NPC162935
0.8189 Intermediate Similarity NPC249340
0.8182 Intermediate Similarity NPC249425
0.8175 Intermediate Similarity NPC470407
0.8162 Intermediate Similarity NPC470722
0.8162 Intermediate Similarity NPC470721
0.8162 Intermediate Similarity NPC6100
0.8162 Intermediate Similarity NPC156888
0.8156 Intermediate Similarity NPC163846
0.8156 Intermediate Similarity NPC225173
0.8125 Intermediate Similarity NPC152946
0.8125 Intermediate Similarity NPC176208
0.812 Intermediate Similarity NPC239134
0.812 Intermediate Similarity NPC164295
0.8116 Intermediate Similarity NPC168471
0.8112 Intermediate Similarity NPC261322
0.811 Intermediate Similarity NPC277798
0.811 Intermediate Similarity NPC100108
0.8099 Intermediate Similarity NPC125801
0.8092 Intermediate Similarity NPC223807
0.8088 Intermediate Similarity NPC475549
0.8083 Intermediate Similarity NPC75440
0.808 Intermediate Similarity NPC240664
0.8074 Intermediate Similarity NPC68779
0.8074 Intermediate Similarity NPC176814
0.8074 Intermediate Similarity NPC4982
0.8074 Intermediate Similarity NPC300776
0.8074 Intermediate Similarity NPC5310
0.8071 Intermediate Similarity NPC158871
0.8065 Intermediate Similarity NPC283169
0.8051 Intermediate Similarity NPC38209
0.8049 Intermediate Similarity NPC35344
0.8049 Intermediate Similarity NPC141003
0.8047 Intermediate Similarity NPC177291
0.8047 Intermediate Similarity NPC194416
0.8045 Intermediate Similarity NPC27659
0.8045 Intermediate Similarity NPC245395
0.8034 Intermediate Similarity NPC300166
0.8033 Intermediate Similarity NPC470723
0.8029 Intermediate Similarity NPC186647
0.8015 Intermediate Similarity NPC113295
0.8015 Intermediate Similarity NPC22644
0.8014 Intermediate Similarity NPC290038
0.8014 Intermediate Similarity NPC91694
0.8014 Intermediate Similarity NPC300603
0.8 Intermediate Similarity NPC94076
0.8 Intermediate Similarity NPC312105
0.8 Intermediate Similarity NPC470406
0.8 Intermediate Similarity NPC19290
0.8 Intermediate Similarity NPC182255
0.8 Intermediate Similarity NPC89630
0.8 Intermediate Similarity NPC201297
0.7986 Intermediate Similarity NPC165172
0.7985 Intermediate Similarity NPC279596
0.7984 Intermediate Similarity NPC221275
0.7984 Intermediate Similarity NPC30462
0.7971 Intermediate Similarity NPC265335
0.7971 Intermediate Similarity NPC233707
0.797 Intermediate Similarity NPC131684
0.797 Intermediate Similarity NPC57552
0.7969 Intermediate Similarity NPC32322
0.7969 Intermediate Similarity NPC259703
0.7966 Intermediate Similarity NPC298224
0.7956 Intermediate Similarity NPC115861
0.7955 Intermediate Similarity NPC53781
0.7945 Intermediate Similarity NPC44606
0.7943 Intermediate Similarity NPC84266
0.7941 Intermediate Similarity NPC324117
0.7941 Intermediate Similarity NPC209858
0.7939 Intermediate Similarity NPC4286
0.7939 Intermediate Similarity NPC257589
0.7939 Intermediate Similarity NPC105031
0.7939 Intermediate Similarity NPC232387
0.7939 Intermediate Similarity NPC76119
0.7939 Intermediate Similarity NPC53305
0.7934 Intermediate Similarity NPC201959
0.7931 Intermediate Similarity NPC119929
0.7923 Intermediate Similarity NPC275145
0.7923 Intermediate Similarity NPC473942
0.7914 Intermediate Similarity NPC1268
0.791 Intermediate Similarity NPC253488
0.7902 Intermediate Similarity NPC211565
0.7902 Intermediate Similarity NPC39361
0.7902 Intermediate Similarity NPC60389
0.7902 Intermediate Similarity NPC58752
0.7899 Intermediate Similarity NPC474603
0.7899 Intermediate Similarity NPC290601
0.7899 Intermediate Similarity NPC12987
0.7895 Intermediate Similarity NPC23012
0.7895 Intermediate Similarity NPC215300
0.7895 Intermediate Similarity NPC96024
0.7895 Intermediate Similarity NPC81261
0.7895 Intermediate Similarity NPC38017
0.7891 Intermediate Similarity NPC477691
0.7883 Intermediate Similarity NPC89504
0.7883 Intermediate Similarity NPC95485
0.7883 Intermediate Similarity NPC252343
0.7883 Intermediate Similarity NPC88065
0.7883 Intermediate Similarity NPC152209
0.7883 Intermediate Similarity NPC470844
0.7879 Intermediate Similarity NPC474264
0.7879 Intermediate Similarity NPC92207
0.7879 Intermediate Similarity NPC127937
0.7872 Intermediate Similarity NPC69755
0.7872 Intermediate Similarity NPC229218
0.7872 Intermediate Similarity NPC176030
0.7872 Intermediate Similarity NPC141817
0.7872 Intermediate Similarity NPC192597
0.7872 Intermediate Similarity NPC169214
0.7872 Intermediate Similarity NPC250755
0.7869 Intermediate Similarity NPC58865
0.7869 Intermediate Similarity NPC259554
0.7868 Intermediate Similarity NPC472524
0.7868 Intermediate Similarity NPC59459
0.7868 Intermediate Similarity NPC49742
0.7863 Intermediate Similarity NPC138248
0.7863 Intermediate Similarity NPC470162
0.7863 Intermediate Similarity NPC228503
0.7863 Intermediate Similarity NPC470163
0.7863 Intermediate Similarity NPC236189
0.7862 Intermediate Similarity NPC329933
0.7862 Intermediate Similarity NPC291049
0.7862 Intermediate Similarity NPC233267
0.7857 Intermediate Similarity NPC82336
0.7857 Intermediate Similarity NPC472523
0.7857 Intermediate Similarity NPC78987
0.7852 Intermediate Similarity NPC191395
0.7847 Intermediate Similarity NPC470757
0.7847 Intermediate Similarity NPC478163
0.7847 Intermediate Similarity NPC142863
0.7846 Intermediate Similarity NPC46634
0.7846 Intermediate Similarity NPC164947
0.7846 Intermediate Similarity NPC11250
0.7836 Intermediate Similarity NPC276238
0.7836 Intermediate Similarity NPC241354
0.7829 Intermediate Similarity NPC131868
0.7829 Intermediate Similarity NPC164852
0.7826 Intermediate Similarity NPC90431
0.7826 Intermediate Similarity NPC141934
0.7823 Intermediate Similarity NPC199462
0.7823 Intermediate Similarity NPC280760
0.7823 Intermediate Similarity NPC477690
0.7823 Intermediate Similarity NPC175978
0.782 Intermediate Similarity NPC470841
0.782 Intermediate Similarity NPC281020
0.7817 Intermediate Similarity NPC53016
0.7817 Intermediate Similarity NPC66593
0.7817 Intermediate Similarity NPC472840
0.7812 Intermediate Similarity NPC61779
0.7812 Intermediate Similarity NPC234956
0.7812 Intermediate Similarity NPC299406
0.7812 Intermediate Similarity NPC264976
0.7812 Intermediate Similarity NPC472593
0.781 Intermediate Similarity NPC1249
0.7803 Intermediate Similarity NPC280767
0.7803 Intermediate Similarity NPC29008
0.7803 Intermediate Similarity NPC278955
0.7803 Intermediate Similarity NPC228771
0.7803 Intermediate Similarity NPC137750
0.7803 Intermediate Similarity NPC137416
0.7803 Intermediate Similarity NPC9067
0.7803 Intermediate Similarity NPC266705
0.7803 Intermediate Similarity NPC105718
0.7801 Intermediate Similarity NPC124365
0.7795 Intermediate Similarity NPC195466
0.7795 Intermediate Similarity NPC45794

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC111088 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 NPD1283 Approved
0.9744 High Similarity NPD1281 Approved
0.916 High Similarity NPD1651 Approved
0.8906 High Similarity NPD2979 Phase 3
0.8571 High Similarity NPD2438 Suspended
0.8571 High Similarity NPD2531 Phase 2
0.856 High Similarity NPD1608 Approved
0.8468 Intermediate Similarity NPD4626 Approved
0.8456 Intermediate Similarity NPD7003 Approved
0.832 Intermediate Similarity NPD17 Approved
0.824 Intermediate Similarity NPD5691 Approved
0.8189 Intermediate Similarity NPD1611 Approved
0.8162 Intermediate Similarity NPD4476 Approved
0.8162 Intermediate Similarity NPD4477 Approved
0.812 Intermediate Similarity NPD8032 Phase 2
0.8102 Intermediate Similarity NPD2346 Discontinued
0.806 Intermediate Similarity NPD4060 Phase 1
0.8029 Intermediate Similarity NPD2935 Discontinued
0.8028 Intermediate Similarity NPD6273 Approved
0.8016 Intermediate Similarity NPD1894 Discontinued
0.8 Intermediate Similarity NPD1876 Approved
0.7969 Intermediate Similarity NPD3847 Discontinued
0.7956 Intermediate Similarity NPD2799 Discontinued
0.7926 Intermediate Similarity NPD4140 Approved
0.7923 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7868 Intermediate Similarity NPD6355 Discontinued
0.7862 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7846 Intermediate Similarity NPD1481 Phase 2
0.7846 Intermediate Similarity NPD3972 Approved
0.7812 Intermediate Similarity NPD5585 Approved
0.781 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD2797 Approved
0.7786 Intermediate Similarity NPD1669 Approved
0.7769 Intermediate Similarity NPD1535 Discovery
0.7752 Intermediate Similarity NPD3019 Approved
0.7752 Intermediate Similarity NPD1778 Approved
0.7752 Intermediate Similarity NPD2932 Approved
0.7721 Intermediate Similarity NPD6663 Approved
0.7714 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7704 Intermediate Similarity NPD7095 Approved
0.7687 Intermediate Similarity NPD5736 Approved
0.7676 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD4628 Phase 3
0.7676 Intermediate Similarity NPD4110 Phase 3
0.766 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD6798 Discontinued
0.7638 Intermediate Similarity NPD709 Approved
0.763 Intermediate Similarity NPD2614 Approved
0.7619 Intermediate Similarity NPD3226 Approved
0.7619 Intermediate Similarity NPD1241 Discontinued
0.7619 Intermediate Similarity NPD7458 Discontinued
0.7619 Intermediate Similarity NPD5283 Phase 1
0.7612 Intermediate Similarity NPD2798 Approved
0.7612 Intermediate Similarity NPD4624 Approved
0.7603 Intermediate Similarity NPD7427 Discontinued
0.7586 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD5535 Approved
0.7533 Intermediate Similarity NPD7819 Suspended
0.7532 Intermediate Similarity NPD6232 Discontinued
0.7521 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD4359 Approved
0.7518 Intermediate Similarity NPD2313 Discontinued
0.7518 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD3764 Approved
0.7518 Intermediate Similarity NPD3268 Approved
0.75 Intermediate Similarity NPD7473 Discontinued
0.7483 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD37 Approved
0.7464 Intermediate Similarity NPD4062 Phase 3
0.7464 Intermediate Similarity NPD6233 Phase 2
0.7447 Intermediate Similarity NPD4308 Phase 3
0.7445 Intermediate Similarity NPD4625 Phase 3
0.7431 Intermediate Similarity NPD3750 Approved
0.7429 Intermediate Similarity NPD4097 Suspended
0.7429 Intermediate Similarity NPD1607 Approved
0.7424 Intermediate Similarity NPD3023 Approved
0.7424 Intermediate Similarity NPD3026 Approved
0.7413 Intermediate Similarity NPD4534 Discontinued
0.7413 Intermediate Similarity NPD5958 Discontinued
0.7407 Intermediate Similarity NPD3267 Approved
0.7407 Intermediate Similarity NPD1164 Approved
0.7407 Intermediate Similarity NPD3266 Approved
0.7405 Intermediate Similarity NPD3024 Approved
0.7405 Intermediate Similarity NPD3025 Approved
0.7402 Intermediate Similarity NPD7635 Approved
0.7397 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD5404 Approved
0.7394 Intermediate Similarity NPD5406 Approved
0.7394 Intermediate Similarity NPD5405 Approved
0.7394 Intermediate Similarity NPD5408 Approved
0.7391 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD5327 Phase 3
0.7368 Intermediate Similarity NPD1201 Approved
0.7347 Intermediate Similarity NPD2534 Approved
0.7347 Intermediate Similarity NPD2532 Approved
0.7347 Intermediate Similarity NPD2533 Approved
0.7343 Intermediate Similarity NPD5762 Approved
0.7343 Intermediate Similarity NPD5763 Approved
0.7339 Intermediate Similarity NPD3134 Approved
0.7333 Intermediate Similarity NPD196 Phase 1
0.7328 Intermediate Similarity NPD9545 Approved
0.7324 Intermediate Similarity NPD3748 Approved
0.7324 Intermediate Similarity NPD4108 Discontinued
0.7323 Intermediate Similarity NPD228 Approved
0.732 Intermediate Similarity NPD4967 Phase 2
0.732 Intermediate Similarity NPD4966 Approved
0.732 Intermediate Similarity NPD4965 Approved
0.7319 Intermediate Similarity NPD7008 Discontinued
0.7315 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD8166 Discontinued
0.7308 Intermediate Similarity NPD7229 Phase 3
0.7308 Intermediate Similarity NPD6747 Phase 1
0.7299 Intermediate Similarity NPD454 Approved
0.7296 Intermediate Similarity NPD5844 Phase 1
0.7292 Intermediate Similarity NPD2897 Discontinued
0.7287 Intermediate Similarity NPD5951 Approved
0.7286 Intermediate Similarity NPD1240 Approved
0.7286 Intermediate Similarity NPD4307 Phase 2
0.728 Intermediate Similarity NPD2342 Discontinued
0.7279 Intermediate Similarity NPD987 Approved
0.7279 Intermediate Similarity NPD1203 Approved
0.7273 Intermediate Similarity NPD6099 Approved
0.7273 Intermediate Similarity NPD1501 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6100 Approved
0.7273 Intermediate Similarity NPD3020 Approved
0.7266 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD411 Approved
0.7265 Intermediate Similarity NPD1239 Approved
0.7259 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD7644 Approved
0.7252 Intermediate Similarity NPD5536 Phase 2
0.725 Intermediate Similarity NPD1566 Phase 3
0.725 Intermediate Similarity NPD1564 Approved
0.725 Intermediate Similarity NPD1565 Approved
0.7234 Intermediate Similarity NPD4622 Approved
0.7234 Intermediate Similarity NPD5735 Approved
0.7234 Intermediate Similarity NPD4618 Approved
0.7226 Intermediate Similarity NPD6234 Discontinued
0.7222 Intermediate Similarity NPD6800 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2344 Approved
0.7219 Intermediate Similarity NPD7028 Phase 2
0.7218 Intermediate Similarity NPD2667 Approved
0.7218 Intermediate Similarity NPD2668 Approved
0.7214 Intermediate Similarity NPD4870 Approved
0.7194 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD2230 Approved
0.7185 Intermediate Similarity NPD2232 Approved
0.7185 Intermediate Similarity NPD9717 Approved
0.7185 Intermediate Similarity NPD2233 Approved
0.7183 Intermediate Similarity NPD6353 Approved
0.7176 Intermediate Similarity NPD9493 Approved
0.7174 Intermediate Similarity NPD9494 Approved
0.7171 Intermediate Similarity NPD6873 Phase 2
0.7165 Intermediate Similarity NPD5451 Approved
0.7163 Intermediate Similarity NPD3620 Phase 2
0.7163 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD1551 Phase 2
0.7153 Intermediate Similarity NPD1470 Approved
0.7143 Intermediate Similarity NPD1358 Approved
0.7143 Intermediate Similarity NPD7985 Registered
0.7133 Intermediate Similarity NPD7097 Phase 1
0.7133 Intermediate Similarity NPD5688 Approved
0.7133 Intermediate Similarity NPD5689 Approved
0.7133 Intermediate Similarity NPD1914 Approved
0.7125 Intermediate Similarity NPD7177 Discontinued
0.7123 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD6832 Phase 2
0.7113 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD1610 Phase 2
0.7111 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD288 Approved
0.7103 Intermediate Similarity NPD6002 Phase 3
0.7103 Intermediate Similarity NPD6005 Phase 3
0.7103 Intermediate Similarity NPD1471 Phase 3
0.7103 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6004 Phase 3
0.7101 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7768 Phase 2
0.7097 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD1930 Approved
0.7097 Intermediate Similarity NPD1929 Approved
0.7095 Intermediate Similarity NPD6666 Approved
0.7095 Intermediate Similarity NPD6667 Approved
0.709 Intermediate Similarity NPD2286 Discontinued
0.709 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD2684 Approved
0.7083 Intermediate Similarity NPD1510 Phase 2
0.7083 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD8455 Phase 2
0.7077 Intermediate Similarity NPD1398 Phase 1
0.7071 Intermediate Similarity NPD5163 Phase 2
0.7068 Intermediate Similarity NPD3091 Approved
0.7063 Intermediate Similarity NPD968 Approved
0.7063 Intermediate Similarity NPD6653 Approved
0.7059 Intermediate Similarity NPD1840 Phase 2
0.7055 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD2861 Phase 2
0.7045 Intermediate Similarity NPD7340 Approved

Structure

External Identifiers

PubChem CID   156391
ChEMBL   CHEMBL154
ZINC  

Physicochemical Properties

Molecular Weight:  230.09
ALogP:  0.0032
MLogP:  2.67
XLogP:  3.75
# Rotatable Bonds:  6
Polar Surface Area:  46.53
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

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Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs