Natural Product: NPC96286

Natural Product ID:  NPC96286
Common Name:   Osthole
IUPAC Name:   7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
Synonyms:   Osthole
Molecular Formula:   C15H16O3
Standard InCHIKey:  MBRLOUHOWLUMFF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
Canonical SMILES:  COc1ccc2c(c1CC=C(C)C)oc(=O)cc2
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
NPO22273 Angelica pubescens Species Apiaceae Eukaryota PMID[21627108]
NPO19017 Prangos pabularia Species Apiaceae Eukaryota TCMID*
NPO12850 Leiothrix flavescens Species Eriocaulaceae Eukaryota UNPD*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TCM_Taiwan*
NPO6200 Clausena sp. Species Rutaceae Eukaryota TCMID*
NPO8119 Ambrosia polystachya Species Asteraceae Eukaryota UNPD*
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota TCMID*
NPO18214 Spilanthes ocymifolia Species Asteraceae Eukaryota UNPD*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCMID*
NPO15022 Baccharis flabellata Species Asteraceae Eukaryota UNPD*
NPO18007.1 Agrimonia pilosa var. japonica Varieties Rosaceae Eukaryota TCMID*
NPO1117 Hypholoma capnoides Species Strophariaceae Eukaryota UNPD*
NPO6190 Angelica archangelica Species Apiaceae Eukaryota TCMID*
NPO13583 Daphne cannabina Species Thymelaeaceae Eukaryota UNPD*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TCMID*
NPO662 Angelica officinalis Species Apiaceae Eukaryota UNPD*
NPO11844 Siphula applanata Species Icmadophilaceae Eukaryota UNPD*
NPO29109 Clausena anisata Species Rutaceae Eukaryota TCMID*
NPO22063 Solanum lycocarpum Species Solanaceae Eukaryota UNPD*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota HerDing*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TCMID*
NPO13159 Sauropus quadrangularis Species Phyllanthaceae Eukaryota UNPD*
NPO29109 Clausena anisata Species Rutaceae Eukaryota TCM_Taiwan*
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota TCMID*
NPO9366 Rosa transmorrisonensis Species Rosaceae Eukaryota UNPD*
NPO29109 Clausena anisata Species Rutaceae Eukaryota HerDing*
NPO25178 Radix heraclei maximi Species Lymnaeidae Eukaryota TCMID*
NPO18674 Juglans regia Species Juglandaceae Eukaryota UNPD*
NPO30526 Notopterygium incisum NA NA NA HerDing*
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota TCMID*
NPO19219 Inga paterno Species Fabaceae Eukaryota UNPD*
NPO31235 Citrus sp Species Rutaceae Eukaryota HerDing*
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota UNPD*
NPO18926 Tephrosia lupinifolia Species Geometridae Eukaryota UNPD*
NPO31335 Clausena sp Species Rutaceae Eukaryota HerDing*
NPO5820 Phegopteris subaurita Species Thelypteridaceae Eukaryota UNPD*
NPO11708 Cyathus helenae Species Nidulariaceae Eukaryota UNPD*
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota TCM_Taiwan*
NPO19012 Gasteria bicolor Species Asphodelaceae Eukaryota UNPD*
NPO15484 Adlumia fungosa Species Papaveraceae Eukaryota UNPD*
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota HerDing*
NPO18316 Vernonia echitifolia Species Asteraceae Eukaryota UNPD*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCMSP*
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota Rhizomes PMID[21627108]
NPO20244 Melicope semecarpifolia Species Rutaceae Eukaryota PMID[11575945]
NPO29603 Saussureae involucratae herba NA NA NA TCMSP*
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota Root PMID[21627108]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota PMID[9544564]
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO6190 Angelica archangelica Species Apiaceae Eukaryota TCM_Taiwan*
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota PMID[21625478]
NPO13736 Cnidii fructus NA NA NA TCMSP*
NPO6190 Angelica archangelica Species Apiaceae Eukaryota HerDing*
NPO33003 murraya alata Species Rutaceae Eukaryota Leaves PMID[25621853]
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TM-MC*
NPO33671 Selinum monniere Species Apiaceae Eukaryota PMID[3069958]
NPO11762 Agrimonia eupatoria Species Rosaceae Eukaryota TCMSP*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TM-MC*
NPO13639 Smilax macrophylla Species Staphylinidae Eukaryota UNPD*
NPO5603 Eupatorium fortunei turcz Species Asteraceae Eukaryota TCMSP*
NPO3127 Aralia continentalis Species Araliaceae Eukaryota TM-MC*
NPO10004 Callitropsis nootkatensis Species Cupressaceae Eukaryota UNPD*
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota HerDing*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO2629 Cystoseira caespitosa Species Sargassaceae Eukaryota UNPD*
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota TCM_Taiwan*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO13877 Wedelia forsteriana Species Asteraceae Eukaryota UNPD*
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota HerDing*
NPO15730 Citrus medica Species Rutaceae Eukaryota TM-MC*
NPO11147 Spongia hispida Species Spongiidae Eukaryota UNPD*
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota TCM_Taiwan*
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota TM-MC*
NPO14231 Senecio barba-johannis Species Asteraceae Eukaryota UNPD*
NPO18007.1 Agrimonia pilosa var. japonica Varieties Rosaceae Eukaryota HerDing*
NPO900 Cnidium monieri Species Apiaceae Eukaryota TM-MC*
NPO16778 Leptospermum liversidgei Species Myrtaceae Eukaryota UNPD*
NPO19017 Prangos pabularia Species Apiaceae Eukaryota TCM_Taiwan*
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota TM-MC*
NPO19744 Arnica foliosa Species Asteraceae Eukaryota UNPD*
NPO19017 Prangos pabularia Species Apiaceae Eukaryota HerDing*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO24248.1 Lactarius deliciosus var. deterrimus Varieties Russulaceae Eukaryota UNPD*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCM_Taiwan*
NPO12662 Torilis japonica Species Apiaceae Eukaryota TM-MC*
NPO18895 Eucalyptus exserta Species Myrtaceae Eukaryota UNPD*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota HerDing*
NPO1141 Citrus sp. Species Rutaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3171 Cell Line V79 Cricetulus griseus IC50 = 57000 nM 10.1016/0960-894X(96)00315-0
NPT91 Cell Line KB Homo sapiens IC50 = 12 ug/ml 10.1016/0960-894X(96)00315-0
NPT168 Cell Line P388 Mus musculus IC50 = 3.1 ug/ml 10.1016/0960-894X(96)00315-0
NPT4114 Cell Line MM46 Mus musculus IC50 = 8.6 ug/ml 10.1016/0960-894X(96)00315-0
NPT1224 Individual Protein Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens IC50 = 208929.61 nM 15081008
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 68 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 0 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 74 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 56 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 51 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 54 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 49 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 13 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 80 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 55 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 29 % 3069958
NPT2 Others Unspecified Inhibition = 86.6 % 11575945
NPT2 Others Unspecified Inhibition = 0 % 11575945
NPT2 Others Unspecified Inhibition = 7.4 % 11575945
NPT2 Others Unspecified Inhibition = 52.6 % 11575945
NPT2 Others Unspecified Inhibition = 7 % 11575945
NPT2 Others Unspecified Inhibition = 88.6 % 11575945
NPT2 Others Unspecified Inhibition = 84.5 % 11575945
NPT2 Others Unspecified Inhibition = 88.1 % 11575945
NPT2 Others Unspecified Inhibition = 90 % 11575945
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens IC50 = 36200 nM 9544564
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 > 200000 nM 9544564
NPT2 Others Unspecified Activity = 16.8 ug/ml 20104880
NPT2 Others Unspecified Activity = 187.3 ug/ml 20104880
NPT2 Others Unspecified Activity = 80.5 ug/ml 20346658
NPT2 Others Unspecified Activity = 12.4 ug/ml 20346658
NPT4115 Individual Protein Exportin-1 Homo sapiens IC50 = 1600 nM 20493693
NPT83 Cell Line MCF7 Homo sapiens IC50 = 25800 nM 21051232
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 30200 nM 21051232
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 44668.4 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 44668.4 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23109.3 nM PubChem BioAssay data set
NPT2657 Cell Line A10 Rattus norvegicus IC50 = 13600 nM 21627108
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 63095.7 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 > 500000 nM 22222157
NPT740 Individual Protein Beta-secretase 1 Homo sapiens Inhibition = 39.4 % 22222157
NPT10 Individual Protein Geminin Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 1778.3 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 3.31 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -0.19 % 23062825
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 32 ug/ml 23369537
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 227.14 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 121.31 % 23571415
NPT2 Others Unspecified Potency 472.8 nM PubChem BioAssay data set
NPT161 Individual Protein Rap guanine nucleotide exchange factor 4 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18821.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 118.8 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens IC50 > 60000 nM 25062005
NPT2 Others Unspecified IC50 = 30200 nM 25062005
NPT396 Cell Line T47D Homo sapiens IC50 = 42400 nM 25062005
NPT2 Others Unspecified IC50 = 30900 nM 25062005
NPT81 Cell Line A549 Homo sapiens IC50 = 46200 nM 25062005
NPT2 Others Unspecified IC50 = 24800 nM 25062005
NPT1718 Cell Line A431 Homo sapiens IC50 = 23200 nM 25062005
NPT65 Cell Line HepG2 Homo sapiens IC50 = 161400 nM 25461322
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 12400 nM 25621853
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Inhibition = 27.3 % 10.1039/C4MD00196F
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Inhibition = 60.5 % 10.1039/C4MD00196F
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Inhibition = 39.8 % 10.1039/C4MD00196F
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Inhibition = 56.5 % 10.1039/C4MD00196F
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus MIC = 2 ug/ml 10.1039/C4MD00196F
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus FC = 4 10.1039/C4MD00196F
NPT2 Others Unspecified MIC = 16 ug/ml 10.1039/C4MD00196F
NPT2 Others Unspecified FC = 2 10.1039/C4MD00196F
NPT2 Others Unspecified MIC = 64 ug/ml 10.1039/C4MD00196F
NPT2 Others Unspecified FC = 0 10.1039/C4MD00196F
NPT2795 Individual Protein Fluoroquinolone resistance protein Staphylococcus aureus MIC = 256 ug/ml 10.1039/C4MD00196F
NPT2795 Individual Protein Fluoroquinolone resistance protein Staphylococcus aureus FC = 0 10.1039/C4MD00196F
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 34000 nM 10.1039/C4MD00196F

  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 NPC96286 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 NPC248429
0.9914 High Similarity NPC472518
0.9829 High Similarity NPC201667
0.9829 High Similarity NPC73413
0.9744 High Similarity NPC273772
0.9744 High Similarity NPC109675
0.9661 High Similarity NPC27671
0.958 High Similarity NPC471828
0.958 High Similarity NPC471827
0.9573 High Similarity NPC144418
0.9565 High Similarity NPC96705
0.9565 High Similarity NPC265547
0.9504 High Similarity NPC185066
0.9504 High Similarity NPC472519
0.95 High Similarity NPC471826
0.95 High Similarity NPC234109
0.95 High Similarity NPC188327
0.9496 High Similarity NPC111347
0.9496 High Similarity NPC291899
0.9492 High Similarity NPC257188
0.9492 High Similarity NPC13007
0.9487 High Similarity NPC163200
0.9487 High Similarity NPC180006
0.9487 High Similarity NPC235190
0.9483 High Similarity NPC281356
0.9483 High Similarity NPC298796
0.9426 High Similarity NPC168710
0.9421 High Similarity NPC243688
0.9417 High Similarity NPC93219
0.9417 High Similarity NPC244495
0.9412 High Similarity NPC173350
0.9412 High Similarity NPC154176
0.9412 High Similarity NPC290605
0.9397 High Similarity NPC152306
0.9391 High Similarity NPC128633
0.935 High Similarity NPC80170
0.9344 High Similarity NPC199204
0.925 High Similarity NPC50720
0.925 High Similarity NPC315807
0.92 High Similarity NPC14248
0.9187 High Similarity NPC157212
0.9167 High Similarity NPC150214
0.9127 High Similarity NPC207002
0.9127 High Similarity NPC222036
0.9127 High Similarity NPC133956
0.9127 High Similarity NPC296624
0.9127 High Similarity NPC318400
0.9127 High Similarity NPC55147
0.9127 High Similarity NPC471910
0.9127 High Similarity NPC7526
0.9127 High Similarity NPC167111
0.9127 High Similarity NPC31849
0.9083 High Similarity NPC52247
0.9055 High Similarity NPC267412
0.9055 High Similarity NPC127888
0.9055 High Similarity NPC84894
0.9055 High Similarity NPC287182
0.9055 High Similarity NPC166672
0.9055 High Similarity NPC195343
0.9055 High Similarity NPC198381
0.9055 High Similarity NPC326600
0.9055 High Similarity NPC50896
0.9055 High Similarity NPC62366
0.9055 High Similarity NPC164269
0.9055 High Similarity NPC307412
0.9055 High Similarity NPC204353
0.9055 High Similarity NPC55149
0.9055 High Similarity NPC18804
0.9055 High Similarity NPC74655
0.9055 High Similarity NPC100986
0.9055 High Similarity NPC47163
0.9055 High Similarity NPC260265
0.9055 High Similarity NPC319859
0.9048 High Similarity NPC19157
0.9048 High Similarity NPC175159
0.9048 High Similarity NPC194277
0.904 High Similarity NPC32463
0.8984 High Similarity NPC471625
0.8984 High Similarity NPC472424
0.8984 High Similarity NPC86892
0.8984 High Similarity NPC281241
0.8984 High Similarity NPC471909
0.8984 High Similarity NPC469675
0.8976 High Similarity NPC163557
0.8976 High Similarity NPC54503
0.8976 High Similarity NPC472524
0.8968 High Similarity NPC472517
0.8952 High Similarity NPC121740
0.8952 High Similarity NPC289316
0.8952 High Similarity NPC258567
0.8952 High Similarity NPC224774
0.8943 High Similarity NPC202594
0.8943 High Similarity NPC232692
0.8934 High Similarity NPC143725
0.8926 High Similarity NPC187868
0.8917 High Similarity NPC247553
0.8915 High Similarity NPC283019
0.8915 High Similarity NPC55615
0.8915 High Similarity NPC177281
0.8915 High Similarity NPC26954
0.8915 High Similarity NPC38099
0.8915 High Similarity NPC283331
0.8915 High Similarity NPC149320
0.8915 High Similarity NPC476455
0.8915 High Similarity NPC160727
0.8915 High Similarity NPC128529
0.8915 High Similarity NPC471630
0.8906 High Similarity NPC180716
0.8906 High Similarity NPC253574
0.8906 High Similarity NPC213173
0.8906 High Similarity NPC98179
0.8906 High Similarity NPC224475
0.8898 High Similarity NPC469956
0.8889 High Similarity NPC113098
0.888 High Similarity NPC60704
0.888 High Similarity NPC293642
0.888 High Similarity NPC469453
0.888 High Similarity NPC139595
0.8871 High Similarity NPC163248
0.8871 High Similarity NPC101894
0.8846 High Similarity NPC153818
0.8846 High Similarity NPC232246
0.8846 High Similarity NPC155963
0.8843 High Similarity NPC319378
0.8843 High Similarity NPC302107
0.8837 High Similarity NPC472525
0.8837 High Similarity NPC33986
0.8837 High Similarity NPC229128
0.8837 High Similarity NPC61499
0.8828 High Similarity NPC469955
0.8828 High Similarity NPC469952
0.8819 High Similarity NPC267336
0.8819 High Similarity NPC272650
0.8819 High Similarity NPC29734
0.879 High Similarity NPC168259
0.8779 High Similarity NPC253616
0.8779 High Similarity NPC270256
0.8779 High Similarity NPC211110
0.8779 High Similarity NPC151946
0.8779 High Similarity NPC279573
0.8769 High Similarity NPC188380
0.8769 High Similarity NPC224543
0.8769 High Similarity NPC78746
0.876 High Similarity NPC131950
0.875 High Similarity NPC123954
0.874 High Similarity NPC19242
0.8712 High Similarity NPC312881
0.8712 High Similarity NPC36414
0.8707 High Similarity NPC473809
0.8707 High Similarity NPC106141
0.8702 High Similarity NPC294456
0.8702 High Similarity NPC212124
0.8702 High Similarity NPC281014
0.8702 High Similarity NPC225106
0.8702 High Similarity NPC306365
0.8702 High Similarity NPC14697
0.8702 High Similarity NPC268081
0.8702 High Similarity NPC184861
0.8702 High Similarity NPC472516
0.8682 High Similarity NPC469449
0.8682 High Similarity NPC472522
0.8682 High Similarity NPC2363
0.8667 High Similarity NPC183154
0.8667 High Similarity NPC263754
0.8661 High Similarity NPC474289
0.8647 High Similarity NPC310370
0.8647 High Similarity NPC287286
0.8647 High Similarity NPC195357
0.8647 High Similarity NPC152771
0.8647 High Similarity NPC183642
0.8647 High Similarity NPC472523
0.8636 High Similarity NPC307883
0.8626 High Similarity NPC167517
0.8626 High Similarity NPC104796
0.8621 High Similarity NPC149545
0.8605 High Similarity NPC137669
0.8594 High Similarity NPC244799
0.8594 High Similarity NPC240722
0.8571 High Similarity NPC71903
0.8561 High Similarity NPC471069
0.8561 High Similarity NPC131198
0.8561 High Similarity NPC471068
0.8559 High Similarity NPC199462
0.8538 High Similarity NPC229646
0.8538 High Similarity NPC205797
0.8538 High Similarity NPC291551
0.8538 High Similarity NPC241165
0.8538 High Similarity NPC233018
0.8538 High Similarity NPC241341
0.8538 High Similarity NPC141822
0.8538 High Similarity NPC36437
0.8538 High Similarity NPC1220
0.8538 High Similarity NPC142563
0.8527 High Similarity NPC66430
0.8527 High Similarity NPC37009
0.8519 High Similarity NPC183646
0.8519 High Similarity NPC119640
0.8519 High Similarity NPC229916
0.8516 High Similarity NPC123127
0.8516 High Similarity NPC27239

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96286 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
0.9083 High Similarity NPD422 Phase 1
0.8583 High Similarity NPD1008 Clinical (unspecified phase)
0.8538 High Similarity NPD5124 Phase 1
0.8538 High Similarity NPD5123 Clinical (unspecified phase)
0.845 Intermediate Similarity NPD1296 Phase 2
0.8435 Intermediate Similarity NPD9697 Approved
0.8235 Intermediate Similarity NPD1243 Approved
0.8168 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8145 Intermediate Similarity NPD1548 Phase 1
0.8102 Intermediate Similarity NPD1652 Phase 2
0.8099 Intermediate Similarity NPD5535 Approved
0.808 Intermediate Similarity NPD5691 Approved
0.8074 Intermediate Similarity NPD3748 Approved
0.8058 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.8051 Intermediate Similarity NPD3134 Approved
0.8015 Intermediate Similarity NPD2796 Approved
0.7983 Intermediate Similarity NPD1358 Approved
0.7958 Intermediate Similarity NPD920 Approved
0.7943 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7923 Intermediate Similarity NPD2797 Approved
0.7895 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD1610 Phase 2
0.7874 Intermediate Similarity NPD4626 Approved
0.7786 Intermediate Similarity NPD3750 Approved
0.7786 Intermediate Similarity NPD3266 Approved
0.7786 Intermediate Similarity NPD3267 Approved
0.7746 Intermediate Similarity NPD6799 Approved
0.7744 Intermediate Similarity NPD4908 Phase 1
0.7744 Intermediate Similarity NPD6832 Phase 2
0.7742 Intermediate Similarity NPD1241 Discontinued
0.774 Intermediate Similarity NPD7411 Suspended
0.7714 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.771 Intermediate Similarity NPD3225 Approved
0.7692 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD6801 Discontinued
0.766 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD1240 Approved
0.7635 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD7819 Suspended
0.763 Intermediate Similarity NPD3268 Approved
0.7615 Intermediate Similarity NPD1611 Approved
0.7569 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD9717 Approved
0.7556 Intermediate Similarity NPD4625 Phase 3
0.7551 Intermediate Similarity NPD6599 Discontinued
0.755 Intermediate Similarity NPD919 Approved
0.7538 Intermediate Similarity NPD3496 Discontinued
0.7536 Intermediate Similarity NPD1607 Approved
0.7534 Intermediate Similarity NPD1653 Approved
0.7533 Intermediate Similarity NPD7768 Phase 2
0.7518 Intermediate Similarity NPD4307 Phase 2
0.7518 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD1549 Phase 2
0.75 Intermediate Similarity NPD4749 Approved
0.75 Intermediate Similarity NPD1551 Phase 2
0.7483 Intermediate Similarity NPD7075 Discontinued
0.7483 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD2684 Approved
0.7463 Intermediate Similarity NPD1019 Discontinued
0.7462 Intermediate Similarity NPD1778 Approved
0.7462 Intermediate Similarity NPD17 Approved
0.7447 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD1510 Phase 2
0.7429 Intermediate Similarity NPD2799 Discontinued
0.7417 Intermediate Similarity NPD940 Approved
0.7417 Intermediate Similarity NPD846 Approved
0.7391 Intermediate Similarity NPD4060 Phase 1
0.7388 Intermediate Similarity NPD1203 Approved
0.7383 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD2935 Discontinued
0.7372 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD5403 Approved
0.7338 Intermediate Similarity NPD4340 Discontinued
0.7329 Intermediate Similarity NPD5401 Approved
0.7313 Intermediate Similarity NPD8651 Approved
0.731 Intermediate Similarity NPD6666 Approved
0.731 Intermediate Similarity NPD6667 Approved
0.7305 Intermediate Similarity NPD4308 Phase 3
0.7305 Intermediate Similarity NPD7033 Discontinued
0.7293 Intermediate Similarity NPD1608 Approved
0.7292 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD1613 Approved
0.7266 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD290 Approved
0.7246 Intermediate Similarity NPD2313 Discontinued
0.7246 Intermediate Similarity NPD6798 Discontinued
0.7244 Intermediate Similarity NPD7843 Approved
0.7237 Intermediate Similarity NPD3817 Phase 2
0.7218 Intermediate Similarity NPD1091 Approved
0.7218 Intermediate Similarity NPD1281 Approved
0.7218 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD4380 Phase 2
0.7197 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD9545 Approved
0.7176 Intermediate Similarity NPD1894 Discontinued
0.7172 Intermediate Similarity NPD4628 Phase 3
0.7171 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5844 Phase 1
0.7165 Intermediate Similarity NPD1139 Approved
0.7165 Intermediate Similarity NPD1137 Approved
0.7162 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD3018 Phase 2
0.7153 Intermediate Similarity NPD2424 Discontinued
0.7143 Intermediate Similarity NPD4140 Approved
0.7143 Intermediate Similarity NPD3847 Discontinued
0.7143 Intermediate Similarity NPD5451 Approved
0.7133 Intermediate Similarity NPD4476 Approved
0.7133 Intermediate Similarity NPD4477 Approved
0.7124 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD4288 Approved
0.7121 Intermediate Similarity NPD1651 Approved
0.7121 Intermediate Similarity NPD5585 Approved
0.7114 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD2200 Suspended
0.7109 Intermediate Similarity NPD1138 Approved
0.7109 Intermediate Similarity NPD821 Approved
0.7099 Intermediate Similarity NPD7644 Approved
0.7095 Intermediate Similarity NPD2533 Approved
0.7095 Intermediate Similarity NPD2532 Approved
0.7095 Intermediate Similarity NPD2534 Approved
0.7092 Intermediate Similarity NPD6355 Discontinued
0.7092 Intermediate Similarity NPD1933 Approved
0.7083 Intermediate Similarity NPD6002 Phase 3
0.7083 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6005 Phase 3
0.7083 Intermediate Similarity NPD6004 Phase 3
0.7083 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD3690 Phase 2
0.708 Intermediate Similarity NPD3691 Phase 2
0.7078 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD6671 Approved
0.7077 Intermediate Similarity NPD7157 Approved
0.7077 Intermediate Similarity NPD2557 Approved
0.7071 Intermediate Similarity NPD8032 Phase 2
0.7059 Intermediate Similarity NPD1283 Approved
0.7055 Intermediate Similarity NPD7466 Approved
0.7054 Intermediate Similarity NPD594 Approved
0.7054 Intermediate Similarity NPD592 Approved
0.7051 Intermediate Similarity NPD5494 Approved
0.705 Intermediate Similarity NPD3027 Phase 3
0.7037 Intermediate Similarity NPD2981 Phase 2
0.7037 Intermediate Similarity NPD3972 Approved
0.7032 Intermediate Similarity NPD3749 Approved
0.7032 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD2237 Approved
0.7029 Intermediate Similarity NPD2861 Phase 2
0.7027 Intermediate Similarity NPD7213 Phase 3
0.7027 Intermediate Similarity NPD7212 Phase 2
0.7027 Intermediate Similarity NPD1511 Approved
0.7023 Intermediate Similarity NPD3596 Phase 2
0.7023 Intermediate Similarity NPD9493 Approved
0.7014 Intermediate Similarity NPD6099 Approved
0.7014 Intermediate Similarity NPD6100 Approved
0.7013 Intermediate Similarity NPD5402 Approved
0.7006 Intermediate Similarity NPD1247 Approved
0.7 Intermediate Similarity NPD411 Approved
0.6993 Remote Similarity NPD7097 Phase 1
0.6986 Remote Similarity NPD2800 Approved
0.6985 Remote Similarity NPD2983 Phase 2
0.6985 Remote Similarity NPD2982 Phase 2
0.698 Remote Similarity NPD7447 Phase 1
0.6975 Remote Similarity NPD5953 Discontinued
0.6972 Remote Similarity NPD447 Suspended
0.697 Remote Similarity NPD5536 Phase 2
0.6966 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6966 Remote Similarity NPD5762 Approved
0.6966 Remote Similarity NPD5763 Approved
0.6963 Remote Similarity NPD1535 Discovery
0.6962 Remote Similarity NPD7229 Phase 3
0.6957 Remote Similarity NPD2798 Approved
0.6957 Remote Similarity NPD7286 Phase 2
0.695 Remote Similarity NPD6233 Phase 2
0.6948 Remote Similarity NPD2801 Approved
0.6947 Remote Similarity NPD6387 Discontinued
0.6939 Remote Similarity NPD7003 Approved
0.6933 Remote Similarity NPD1512 Approved
0.6929 Remote Similarity NPD7095 Approved
0.6929 Remote Similarity NPD5163 Phase 2
0.6923 Remote Similarity NPD6651 Approved
0.6923 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5283 Phase 1
0.6923 Remote Similarity NPD6971 Discontinued
0.6917 Remote Similarity NPD6581 Approved
0.6917 Remote Similarity NPD6580 Approved
0.6912 Remote Similarity NPD1481 Phase 2
0.6908 Remote Similarity NPD3226 Approved
0.6905 Remote Similarity NPD968 Approved
0.6901 Remote Similarity NPD2979 Phase 3
0.689 Remote Similarity NPD7549 Discontinued
0.6884 Remote Similarity NPD987 Approved
0.6883 Remote Similarity NPD1934 Approved
0.6879 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1048 Approved

Structure

External Identifiers

PubChem CID   10228
ChEMBL   CHEMBL52229
ZINC  

Physicochemical Properties

Molecular Weight:  244.11
ALogP:  2.0956
MLogP:  2.78
XLogP:  3.521
# Rotatable Bonds:  6
Polar Surface Area:  35.53
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  18

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Biological Activities  
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