Natural Product: NPC30102

Natural Product ID:  NPC30102
Common Name:   Artesunate
IUPAC Name:  
Synonyms:   Arsumax; Artesunate
Molecular Formula:   C19H28O8
Standard InCHIKey:  FIHJKUPKCHIPAT-AHIGJZGOSA-N
Standard InCHI:  InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
Canonical SMILES:  OC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
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
NPO26589 Artemisia annua Species Asteraceae Eukaryota TM-MC*
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.0002 ug/ml 15050646
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.0006 ug/ml 15050646
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED50 = 0.2 ug/ml 12383020
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED50 = 0.6 ug/ml 12383020
NPT32 Organism Mus musculus Mus musculus ED50 = 2.8 mg/kg 14998331
NPT32 Organism Mus musculus Mus musculus ED90 = 10.5 mg/kg 14998331
NPT32 Organism Mus musculus Mus musculus ED50 = 5.4 mg/kg 14998331
NPT32 Organism Mus musculus Mus musculus ED90 = 15.3 mg/kg 14998331
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 0.0013 ug/ml 16033274
NPT32 Organism Mus musculus Mus musculus ED90 = 21 mg/kg/day 16033274
NPT32 Organism Mus musculus Mus musculus ED50 = 2.4 mg/kg/day 16033274
NPT32 Organism Mus musculus Mus musculus ED90 = 13 mg/kg/day 16033274
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 0.0016 ug/ml 16033274
NPT32 Organism Mus musculus Mus musculus Survival = 6.8 day 16033274
NPT32 Organism Mus musculus Mus musculus ED50 = 5 mg/kg/day 16033274
NPT32 Organism Mus musculus Mus musculus ED50 = 5.9 mg/kg/day 16033274
NPT32 Organism Mus musculus Mus musculus CC50 = 32900 nM 15999998
NPT2246 Cell Line T-cells IC50 = 4580 nM 15999998
NPT2 Others Unspecified IC50 = 989 nM 15999998
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.0013 ug/ml 16931006
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.0016 ug/ml 16931006
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 65 % 16931006
NPT32 Organism Mus musculus Mus musculus Activity = 6.8 day 16931006
NPT2247 Organism Plasmodium yoelii nigeriensis Plasmodium yoelii nigeriensis Activity = 100 % 17266204
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 4.2 nM 17145800
NPT32 Organism Mus musculus Mus musculus Survival = 9.1 day 17439113
NPT32 Organism Mus musculus Mus musculus Survival = 8.6 day 17439113
NPT32 Organism Mus musculus Mus musculus Survival = 7.3 day 17439113
NPT32 Organism Mus musculus Mus musculus Survival = 7.5 day 17439113
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2.3 nM 17242150
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1.6 nM 17242150
NPT2248 Organism Plasmodium vinckei petteri Plasmodium vinckei petteri ED50 = 2.5 mg/kg/day 17242150
NPT2248 Organism Plasmodium vinckei petteri Plasmodium vinckei petteri ED90 = 8 mg/kg/day 17242150
NPT2248 Organism Plasmodium vinckei petteri Plasmodium vinckei petteri ED50 = 0.3 mg/kg/day 17242150
NPT2248 Organism Plasmodium vinckei petteri Plasmodium vinckei petteri ED90 = 0.8 mg/kg/day 17242150
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 72 nM 17242150
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 108 nM 17242150
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 6 nM 17242150
NPT2248 Organism Plasmodium vinckei petteri Plasmodium vinckei petteri CD50 = 19 mg/kg/day 17242150
NPT2248 Organism Plasmodium vinckei petteri Plasmodium vinckei petteri CD90 = 28 mg/kg/day 17242150
NPT2248 Organism Plasmodium vinckei petteri Plasmodium vinckei petteri CD50 = 2.5 mg/kg/day 17242150
NPT2248 Organism Plasmodium vinckei petteri Plasmodium vinckei petteri CD90 = 7.5 mg/kg/day 17242150
NPT2247 Organism Plasmodium yoelii nigeriensis Plasmodium yoelii nigeriensis Activity = 100 % 18206370
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2.3 nM 18260613
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 12800 nM 19250832
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 15000 nM 19250832
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 27500 nM 19250832
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei Ratio IC50 = 1.2 19250832
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei Ratio IC50 = 2.1 19250832
NPT474 Organism Plasmodium berghei Plasmodium berghei Inhibition = 100 % 19957999
NPT474 Organism Plasmodium berghei Plasmodium berghei ED50 = 3.23 mg/kg 19957999
NPT474 Organism Plasmodium berghei Plasmodium berghei Inhibition = 98 % 19957999
NPT474 Organism Plasmodium berghei Plasmodium berghei ED90 > 10 mg/kg 19957999
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1700 nM 19908867
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2000 nM 19908867
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2100 nM 19908867
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2400 nM 19908867
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 3.8 nM 19908867
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1.7 nM 19908867
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 3 nM 19908867
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2 nM 19908867
NPT2 Others Unspecified IC50 = 2.1 nM 19908867
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1.9 nM 19908867
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1.8 nM 19908867
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 2.46 nM 19811859
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 0.0013 ug/ml 19924861
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.0016 ug/ml 19924861
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 67 % 19924861
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 70 % 19924861
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 9.2 day 19924861
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 0 % 19924861
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 0.0013 ug/ml 19962893
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.0016 ug/ml 19962893
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 67 % 19962893
NPT433 Subcellular Liver microsomes Homo sapiens Ratio = 0.43 19962893
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 70 % 19962893
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 70 day 19962893
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 0 % 19962893
NPT2250 Organism Fasciola hepatica Fasciola hepatica Activity = 30 % 20423101
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 12.2 day 20568778
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 99 % 20568778
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 8.1 day 20568778
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 96 % 20568778
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 7 day 20568778
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 98 % 20568778
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 5.8 day 20568778
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 95.6 % 20568778
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 1800 nM 20527917
NPT2251 Cell Line ADR5000 cell line IC50 = 1200 nM 20527917
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 3000 nM 20185316
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 70 % 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 89 % 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 97 % 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 7.3 % 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 7.2 day 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 6.7 day 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei ED50 = 6.2 mg/kg 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei ED99 = 135 mg/kg 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 92 % 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 6.5 day 20813948
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 98 % 20813948
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 1.2 nM 18180357
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 0.83 nM 18180357
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 1.6 nM 18180357
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 1.39 nM 18180357
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 1.61 nM 18180357
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 0.86 nM 18180357
NPT2 Others Unspecified Inhibition = 44 % 18268087
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 3.2 nM 18268087
NPT32 Organism Mus musculus Mus musculus Activity = 0 % 20350951
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 0 % 20350951
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 12.2 day 20350951
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 7 day 20350951
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 98.7 % 20350951
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 98 % 20350951
NPT474 Organism Plasmodium berghei Plasmodium berghei ED90 = 20.5 mg/kg 20350951
NPT474 Organism Plasmodium berghei Plasmodium berghei ED50 = 5.9 mg/kg 20350951
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 8 nM 18443130
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 8 nM 18443130
NPT2253 Organism Echinococcus multilocularis Echinococcus multilocularis Activity = 4.6 ug 18625777
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 1.29 nM 19104023
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED90 = 12.9 mg/kg 19596869
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED90 = 12.7 mg/kg 19596869
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED90 < 20 mg/kg 19596869
NPT2254 Organism Schistosoma mansoni Schistosoma mansoni Activity = 100 % 19596887
NPT2255 Organism Toxoplasma gondii RH Toxoplasma gondii RH EC50 = 213 nM 19635951
NPT2255 Organism Toxoplasma gondii RH Toxoplasma gondii RH EC90 = 0.368 nM 19635951
NPT71 Cell Line HEK293 Homo sapiens IC50 = 2900 nM 21155593
NPT2 Others Unspecified IC50 = 150000 nM 21155593
NPT65 Cell Line HepG2 Homo sapiens IC50 = 12700 nM 21155593
NPT2 Others Unspecified IC50 = 374000 nM 21155593
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 1.27 nM 20876370
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.68 nM 20876370
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 1.03 nM 20876370
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 3.3 nM 20547797
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 13.5 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 14.9 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 23.6 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 26.2 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 14.2 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 12.1 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 16 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 13.3 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 12.4 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 21.3 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 26.6 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 16.8 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 26.5 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 27.7 nM 20566762
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 24.3 nM 20566762
NPT2256 Organism Plasmodium malariae Plasmodium malariae IC50 = 2.84 nM 20937779
NPT2256 Organism Plasmodium malariae Plasmodium malariae IC50 = 1.77 nM 20937779
NPT2 Others Unspecified IC50 = 1.28 nM 20937779
NPT2 Others Unspecified IC50 = 1.16 nM 20937779
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2 nM 21135175
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 1 nM 21135175
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.92 nM 21135175
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 0.74 nM 21135175
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.88 nM 21135175
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1.19 nM 21135175
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 0.75 nM 21135175
NPT2252 Organism Plasmodium vivax Plasmodium vivax IC50 = 0.39 nM 21135175
NPT2 Others Unspecified ED50 = 5.9 mg/kg 21517059
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 7.2 day 21644570
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 98 % 21644570
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 6.7 day 21644570
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 97 % 21644570
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 89 % 21644570
NPT2250 Organism Fasciola hepatica Fasciola hepatica Activity = 30 % 21802291
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 4 nM 21966980
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 3 nM 21966980
NPT474 Organism Plasmodium berghei Plasmodium berghei ED50 = 0.55 mg/kg 22182577
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED90 = 12.7 mg/kg 21696174
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Ratio IC50 = 0.5418 22459876
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 2.8 nM 22459876
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 5.3 nM 22459876
NPT2247 Organism Plasmodium yoelii nigeriensis Plasmodium yoelii nigeriensis Activity = 100 % 22216834
NPT2247 Organism Plasmodium yoelii nigeriensis Plasmodium yoelii nigeriensis Activity = 96.36 % 22216834
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 5.8 day 22524250
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 99 % 22524250
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 98 % 22524250
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 95.6 % 22524250
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 7 day 22524250
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 12.2 day 22524250
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 1800 nM 22884578
NPT2 Others Unspecified IC50 = 1200 nM 22884578
NPT404 Cell Line CCRF-CEM Homo sapiens Ratio IC50 = 0.67 22884578
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 19 nM 10.6019/CHEMBL2113921
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -5.55 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 4.77 % 23062825
NPT171 Cell Line MRC5 Homo sapiens Ratio IC50 = 2 23013253
NPT171 Cell Line MRC5 Homo sapiens IC50 = 6800 nM 23013253
NPT165 Cell Line HeLa Homo sapiens IC50 = 3200 nM 23013253
NPT2 Others Unspecified Ratio IC50 = 0.04 23013253
NPT839 Cell Line L6 Rattus norvegicus IC50 = 1500 nM 23013253
NPT2254 Organism Schistosoma mansoni Schistosoma mansoni IC50 = 38700 nM 23013253
NPT2254 Organism Schistosoma mansoni Schistosoma mansoni IC50 = 4970 nM 23013253
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2.5 nM 21666827
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 17 nM 10.1007/s00044-010-9323-4
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Activity = 92 % 23489135
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 3.4 nM 23489135
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 4.2 nM 23489135
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Survival = 9 day 23489135
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2300 nM 23286240
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED50 = 6.2 mg/kg/day 23587422
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 EC50 = 3.1 nM 23587422
NPT2 Others Unspecified IC50 = 10000 nM 23685181
NPT1086 Cell Line SK-HEP1 Homo sapiens IC50 = 10000 nM 23685181
NPT65 Cell Line HepG2 Homo sapiens IC50 = 20000 nM 23685181
NPT2 Others Unspecified Ratio IC50 = 2.7 23790541
NPT2 Others Unspecified Ratio IC50 = 0.46 23790541
NPT2257 Cell Line MCF-10A Homo sapiens IC50 = 21000 nM 23790541
NPT845 Cell Line BT-474 Homo sapiens IC50 = 7800 nM 23790541
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 46000 nM 23790541
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.002 ug/ml 23835293
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 31.2 nM 23811093
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 8 nM 23837878
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 19 nM 23837878
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Inhibition = 50 % 23927658
NPT475 Organism Plasmodium yoelii Plasmodium yoelii IC50 < 1000 nM 23927658
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2.2 nM 23927763
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 3.43 nM 23927763
NPT116 Cell Line HL-60 Homo sapiens IC50 = 2000 nM 24148834
NPT2 Others Unspecified IC50 = 38800 nM 24148834
NPT474 Organism Plasmodium berghei Plasmodium berghei ED50 = 1.6 mg/kg 24148834
NPT474 Organism Plasmodium berghei Plasmodium berghei Inhibition = 99.7 % 24148834
NPT474 Organism Plasmodium berghei Plasmodium berghei Inhibition = 95.2 % 24148834
NPT474 Organism Plasmodium berghei Plasmodium berghei Inhibition = 62.4 % 24148834
NPT474 Organism Plasmodium berghei Plasmodium berghei Inhibition = 38.5 % 24148834
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 1.6 nM 24148834
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Ratio IC50 = 8.75 24468411
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 46 nM 24468411
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 5 nM 24468411
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 31.2 nM 24354322
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 6.3 nM 24354322
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 2300 nM 24549242
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 8.1 nM 24602791
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 < 5.2 nM 24602791
NPT2 Others Unspecified Ratio IC50 = 0.67 24561670
NPT2 Others Unspecified IC50 = 1200 nM 24561670
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 1800 nM 24561670
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 0.82 nM 24561670
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 0.0028 ug/ml 10.1039/C3MD00310H
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 4.9 nM 10.1039/C1MD00102G
NPT2 Others Unspecified Activity = 99.6 % 10.1039/C1MD00102G
NPT32 Organism Mus musculus Mus musculus ED50 = 2.8 mg/kg 10.1039/C1MD00102G
NPT32 Organism Mus musculus Mus musculus ED90 = 18 mg/kg 10.1039/C1MD00102G
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 20 nM 10.1039/C3MD20377H
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 3 nM 24568587
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 4 nM 24568587
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 3.8 nM 24904967
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 12 nM 25488841
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 3 nM 25488841
NPT2 Others Unspecified Activity = 44.4 % 25074847
NPT2 Others Unspecified Activity = 44.3 % 25074847
NPT2 Others Unspecified Activity = 56.4 % 25074847
NPT2 Others Unspecified Activity = 68.8 % 25074847
NPT983 Protein Complex Nuclear factor NF-kappa-B complex Homo sapiens Activity = 35.4 % 25074847
NPT2 Others Unspecified Activity = 55 % 25074847
NPT2 Others Unspecified Activity = 38.8 % 25074847
NPT2 Others Unspecified Inhibition = 97 % 25148516
NPT2 Others Unspecified Inhibition = 81 % 25148516
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 5.2 nM 25316314
NPT2 Others Unspecified Inhibition = 97 % 25211597
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2 nM 25195945
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 1.9 nM 25195945
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 44 nM 25195945
NPT839 Cell Line L6 Rattus norvegicus IC50 = 24000 nM 25195945
NPT2 Others Unspecified Ratio IC50 = 12391 25195945
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 5.71 nM 25461309
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 4 nM 25461309
NPT2 Others Unspecified Ratio IC50 = 1.4 25461309
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 99 % 25633870
NPT474 Organism Plasmodium berghei Plasmodium berghei Survival = 10 day 25633870
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Activity = 90 % 25633870
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 5 nM 25544689
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 11 nM 25544689
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Ratio IC50 = 2.2 25544689
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 700 nM 25791675
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 3.5 nM 25747499
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 4.2 nM 25747499
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 10 nM 25747499
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 4.1 nM 25747499
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 < 0.39 ug/ml 25920564
NPT32 Organism Mus musculus Mus musculus Activity = 16.1 ug 25453788
NPT83 Cell Line MCF7 Homo sapiens Inhibition = 40.21 % 25453788
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 10 nM 25089179
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2.5 nM 25089179
NPT171 Cell Line MRC5 Homo sapiens IC50 = 36000 nM 25089179
NPT6 Organism Plasmodium falciparum Plasmodium falciparum ED50 = 1.7 mg/kg 25089179
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 < 5.2 nM 26174655
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 24.2 nM 26174655
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Ratio IC50 = 4.6 26174655
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 9 nM 26260339
NPT2 Others Unspecified IC50 = 190 nM 26260339
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 70 nM 26260339
NPT2 Others Unspecified Ratio IC50 = 2.71 26260339
NPT2262 Organism Human herpesvirus 5 strain AD169 Human herpesvirus 5 strain AD169 IC50 = 3800 nM 26260339
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 4.4 nM 26142491
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 1.76 nM 26295174
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 EC50 = 1.97 nM 26295174
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 4 nM 26322748
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 3 nM 26322748
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 ED90 = 11.1 mg/kg 26502160
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 4 nM 26502160
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 3 nM 26502160
NPT474 Organism Plasmodium berghei Plasmodium berghei Activity = 99 % 26502160
NPT2 Others Unspecified Activity = 7.2 % 26615886
NPT2 Others Unspecified Activity = 9.31 % 26615886
NPT2 Others Unspecified Activity = 5.97 % 26615886
NPT2 Others Unspecified Activity = 77.52 % 26615886
NPT2 Others Unspecified Activity = 16.93 % 26615886
NPT2 Others Unspecified Ratio IC50 = 1.042 26615886
NPT2 Others Unspecified IC50 = 6256 nM 26615886
NPT111 Cell Line K562 Homo sapiens IC50 = 5999 nM 26615886
NPT737 Cell Line HUVEC Homo sapiens IC50 = 1092 nM 26615886
NPT165 Cell Line HeLa Homo sapiens IC50 = 19014 nM 26615886
NPT81 Cell Line A549 Homo sapiens IC50 = 15921 nM 26615886
NPT65 Cell Line HepG2 Homo sapiens IC50 = 22240 nM 26615886
NPT71 Cell Line HEK293 Homo sapiens Activity = 73 % 26651537
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 0.5 nM 26651537
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.443 nM 26651537
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.9 nM 26807544
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1.3 nM 26807544
NPT757 Organism Plasmodium falciparum 3D7 Plasmodium falciparum 3D7 IC50 = 2.1 nM 26807544
NPT2263 Organism Schistosoma japonicum Schistosoma japonicum Activity = 72.4 % 26856921
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 4 nM 10.1039/C5MD00343A
NPT2258 Organism Plasmodium falciparum NF54 Plasmodium falciparum NF54 IC50 = 7.88 nM 27210430
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 8.97 nM 27210430
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 6.77 nM 27210430
NPT2 Others Unspecified Ratio IC50 = 1.4 27210430
NPT2 Others Unspecified Ratio IC50 = 0.8 27210430
NPT2 Others Unspecified IC50 > 100000 nM 27210430
NPT2 Others Unspecified Ratio IC50 > 12690 27210430

  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 NPC30102 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 NPC67158
1.0 High Similarity NPC128816
0.8765 High Similarity NPC285480
0.8765 High Similarity NPC30443
0.8765 High Similarity NPC45256
0.8765 High Similarity NPC260977
0.859 High Similarity NPC200167
0.859 High Similarity NPC209666
0.859 High Similarity NPC53868
0.859 High Similarity NPC31046
0.8442 Intermediate Similarity NPC29005
0.8442 Intermediate Similarity NPC51956
0.8442 Intermediate Similarity NPC5209
0.8193 Intermediate Similarity NPC60568
0.764 Intermediate Similarity NPC471411
0.764 Intermediate Similarity NPC471410
0.7529 Intermediate Similarity NPC177343
0.7474 Intermediate Similarity NPC148872
0.747 Intermediate Similarity NPC166250
0.7368 Intermediate Similarity NPC94582
0.7368 Intermediate Similarity NPC57964
0.7349 Intermediate Similarity NPC123122
0.734 Intermediate Similarity NPC475307
0.7326 Intermediate Similarity NPC272841
0.7303 Intermediate Similarity NPC241959
0.7292 Intermediate Similarity NPC237071
0.7292 Intermediate Similarity NPC475765
0.7292 Intermediate Similarity NPC238796
0.7292 Intermediate Similarity NPC203434
0.7283 Intermediate Similarity NPC470872
0.7263 Intermediate Similarity NPC151214
0.7263 Intermediate Similarity NPC191915
0.7253 Intermediate Similarity NPC474008
0.7253 Intermediate Similarity NPC476717
0.7222 Intermediate Similarity NPC18953
0.7216 Intermediate Similarity NPC472273
0.7209 Intermediate Similarity NPC476719
0.7188 Intermediate Similarity NPC215570
0.7159 Intermediate Similarity NPC471216
0.7159 Intermediate Similarity NPC471217
0.7157 Intermediate Similarity NPC203974
0.7143 Intermediate Similarity NPC471375
0.7143 Intermediate Similarity NPC209798
0.7143 Intermediate Similarity NPC235402
0.7143 Intermediate Similarity NPC471374
0.7126 Intermediate Similarity NPC252483
0.7126 Intermediate Similarity NPC191345
0.7113 Intermediate Similarity NPC296936
0.7113 Intermediate Similarity NPC252056
0.7113 Intermediate Similarity NPC475785
0.7111 Intermediate Similarity NPC474284
0.7111 Intermediate Similarity NPC475820
0.7111 Intermediate Similarity NPC213737
0.7111 Intermediate Similarity NPC474253
0.7111 Intermediate Similarity NPC474346
0.7108 Intermediate Similarity NPC471879
0.71 Intermediate Similarity NPC80640
0.7097 Intermediate Similarity NPC221993
0.7087 Intermediate Similarity NPC207693
0.7083 Intermediate Similarity NPC178949
0.7083 Intermediate Similarity NPC96736
0.7079 Intermediate Similarity NPC116320
0.7079 Intermediate Similarity NPC71541
0.7079 Intermediate Similarity NPC211049
0.7079 Intermediate Similarity NPC119922
0.7071 Intermediate Similarity NPC471428
0.7071 Intermediate Similarity NPC471427
0.7071 Intermediate Similarity NPC51579
0.7071 Intermediate Similarity NPC471426
0.7065 Intermediate Similarity NPC470657
0.7059 Intermediate Similarity NPC308489
0.7053 Intermediate Similarity NPC475878
0.7041 Intermediate Similarity NPC470591
0.7041 Intermediate Similarity NPC266417
0.7033 Intermediate Similarity NPC79308
0.7021 Intermediate Similarity NPC131466
0.7019 Intermediate Similarity NPC228190
0.7019 Intermediate Similarity NPC236753
0.7019 Intermediate Similarity NPC22709
0.7 Intermediate Similarity NPC2096
0.7 Intermediate Similarity NPC208912
0.7 Intermediate Similarity NPC476838
0.7 Intermediate Similarity NPC472081
0.7 Intermediate Similarity NPC476839
0.7 Intermediate Similarity NPC475574
0.7 Intermediate Similarity NPC476512
0.7 Intermediate Similarity NPC108227
0.699 Remote Similarity NPC126753
0.6989 Remote Similarity NPC213658
0.6989 Remote Similarity NPC62202
0.6989 Remote Similarity NPC45833
0.6989 Remote Similarity NPC31349
0.6989 Remote Similarity NPC110365
0.6989 Remote Similarity NPC43912
0.6989 Remote Similarity NPC140446
0.6961 Remote Similarity NPC469827
0.6961 Remote Similarity NPC267637
0.6957 Remote Similarity NPC476715
0.6957 Remote Similarity NPC290612
0.6952 Remote Similarity NPC470622
0.6941 Remote Similarity NPC476718
0.6932 Remote Similarity NPC43463
0.6931 Remote Similarity NPC470029
0.6931 Remote Similarity NPC114700
0.6931 Remote Similarity NPC310138
0.6931 Remote Similarity NPC471254
0.6931 Remote Similarity NPC134967
0.6923 Remote Similarity NPC474266
0.6923 Remote Similarity NPC469826
0.69 Remote Similarity NPC80417
0.69 Remote Similarity NPC20028
0.6897 Remote Similarity NPC107963
0.6897 Remote Similarity NPC136424
0.6893 Remote Similarity NPC273189
0.6893 Remote Similarity NPC184805
0.6889 Remote Similarity NPC476494
0.6889 Remote Similarity NPC470156
0.6889 Remote Similarity NPC470154
0.6887 Remote Similarity NPC469824
0.6882 Remote Similarity NPC107603
0.6882 Remote Similarity NPC268633
0.6875 Remote Similarity NPC307167
0.6875 Remote Similarity NPC210759
0.6875 Remote Similarity NPC229801
0.6869 Remote Similarity NPC74466
0.6869 Remote Similarity NPC210157
0.6863 Remote Similarity NPC139181
0.6863 Remote Similarity NPC34562
0.6863 Remote Similarity NPC97260
0.6863 Remote Similarity NPC471253
0.6863 Remote Similarity NPC476837
0.6854 Remote Similarity NPC170595
0.6842 Remote Similarity NPC82955
0.6837 Remote Similarity NPC21897
0.6832 Remote Similarity NPC478181
0.6832 Remote Similarity NPC280991
0.6832 Remote Similarity NPC477172
0.6827 Remote Similarity NPC471430
0.6827 Remote Similarity NPC293512
0.6822 Remote Similarity NPC470543
0.6822 Remote Similarity NPC477489
0.6822 Remote Similarity NPC157571
0.6818 Remote Similarity NPC474003
0.6813 Remote Similarity NPC477447
0.6813 Remote Similarity NPC216800
0.6813 Remote Similarity NPC470155
0.6813 Remote Similarity NPC475849
0.6813 Remote Similarity NPC477446
0.6809 Remote Similarity NPC472396
0.6804 Remote Similarity NPC323231
0.6804 Remote Similarity NPC224003
0.6804 Remote Similarity NPC470623
0.6804 Remote Similarity NPC18724
0.6804 Remote Similarity NPC171741
0.68 Remote Similarity NPC292775
0.6796 Remote Similarity NPC470167
0.6792 Remote Similarity NPC471431
0.6778 Remote Similarity NPC186594
0.6778 Remote Similarity NPC125366
0.6778 Remote Similarity NPC472951
0.6778 Remote Similarity NPC472943
0.6778 Remote Similarity NPC475456
0.6774 Remote Similarity NPC477205
0.6771 Remote Similarity NPC470114
0.6771 Remote Similarity NPC50443
0.6771 Remote Similarity NPC65550
0.6771 Remote Similarity NPC18536
0.6771 Remote Similarity NPC279329
0.6768 Remote Similarity NPC193785
0.6765 Remote Similarity NPC310031
0.6765 Remote Similarity NPC80191
0.6765 Remote Similarity NPC470172
0.6762 Remote Similarity NPC472079
0.6759 Remote Similarity NPC204458
0.6759 Remote Similarity NPC189884
0.6759 Remote Similarity NPC47063
0.6759 Remote Similarity NPC138334
0.6747 Remote Similarity NPC477758
0.6747 Remote Similarity NPC477760
0.6747 Remote Similarity NPC477759
0.6747 Remote Similarity NPC477754
0.6747 Remote Similarity NPC476928
0.6747 Remote Similarity NPC477761
0.6742 Remote Similarity NPC477577
0.6739 Remote Similarity NPC470070
0.6737 Remote Similarity NPC471221
0.6737 Remote Similarity NPC476379
0.6737 Remote Similarity NPC281004
0.6737 Remote Similarity NPC470009
0.6735 Remote Similarity NPC267238
0.6735 Remote Similarity NPC252253
0.6735 Remote Similarity NPC253611
0.6735 Remote Similarity NPC77717
0.6735 Remote Similarity NPC309866
0.6735 Remote Similarity NPC45959
0.6735 Remote Similarity NPC305418
0.6735 Remote Similarity NPC471373
0.6735 Remote Similarity NPC148593
0.6735 Remote Similarity NPC211238
0.6733 Remote Similarity NPC41843

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC30102 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 NPD3669 Approved
1.0 High Similarity NPD3670 Clinical (unspecified phase)
0.8765 High Similarity NPD1780 Approved
0.8765 High Similarity NPD1779 Approved
0.859 High Similarity NPD1810 Approved
0.859 High Similarity NPD1811 Approved
0.8442 Intermediate Similarity NPD2687 Approved
0.8442 Intermediate Similarity NPD2254 Approved
0.8442 Intermediate Similarity NPD2686 Approved
0.6857 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6512 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6476 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6465 Remote Similarity NPD8171 Discontinued
0.6455 Remote Similarity NPD8133 Approved
0.6429 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6222 Remote Similarity NPD3702 Approved
0.6196 Remote Similarity NPD6697 Approved
0.6196 Remote Similarity NPD6114 Approved
0.6196 Remote Similarity NPD6118 Approved
0.6196 Remote Similarity NPD6115 Approved
0.619 Remote Similarity NPD371 Approved
0.6147 Remote Similarity NPD6686 Approved
0.6132 Remote Similarity NPD8138 Approved
0.6132 Remote Similarity NPD8084 Approved
0.6132 Remote Similarity NPD8139 Approved
0.6132 Remote Similarity NPD8083 Approved
0.6132 Remote Similarity NPD8085 Approved
0.6132 Remote Similarity NPD8082 Approved
0.6132 Remote Similarity NPD8086 Approved
0.6111 Remote Similarity NPD8393 Approved
0.6102 Remote Similarity NPD8328 Phase 3
0.6087 Remote Similarity NPD6116 Phase 1
0.6075 Remote Similarity NPD8275 Approved
0.6075 Remote Similarity NPD8276 Approved
0.6064 Remote Similarity NPD6928 Phase 2
0.6036 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6019 Remote Similarity NPD3710 Phase 2
0.6019 Remote Similarity NPD8081 Approved
0.6 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5983 Remote Similarity NPD8294 Approved
0.5983 Remote Similarity NPD8377 Approved
0.5978 Remote Similarity NPD6117 Approved
0.5948 Remote Similarity NPD7328 Approved
0.5948 Remote Similarity NPD7327 Approved
0.5932 Remote Similarity NPD8296 Approved
0.5932 Remote Similarity NPD8033 Approved
0.5932 Remote Similarity NPD8380 Approved
0.5932 Remote Similarity NPD8378 Approved
0.5932 Remote Similarity NPD8335 Approved
0.5932 Remote Similarity NPD8379 Approved
0.5913 Remote Similarity NPD6940 Discontinued
0.5909 Remote Similarity NPD6412 Phase 2
0.5897 Remote Similarity NPD7516 Approved
0.5882 Remote Similarity NPD8035 Phase 2
0.5882 Remote Similarity NPD8034 Phase 2
0.5868 Remote Similarity NPD7507 Approved
0.5851 Remote Similarity NPD4802 Phase 2
0.5851 Remote Similarity NPD4238 Approved
0.5798 Remote Similarity NPD8516 Approved
0.5798 Remote Similarity NPD8517 Approved
0.5798 Remote Similarity NPD7503 Approved
0.5798 Remote Similarity NPD8515 Approved
0.5798 Remote Similarity NPD8513 Phase 3
0.5789 Remote Similarity NPD7329 Approved
0.5766 Remote Similarity NPD8140 Approved
0.5766 Remote Similarity NPD8307 Discontinued
0.5766 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5761 Remote Similarity NPD6113 Clinical (unspecified phase)
0.5741 Remote Similarity NPD1700 Approved
0.5726 Remote Similarity NPD7319 Approved
0.5699 Remote Similarity NPD3703 Phase 2
0.5682 Remote Similarity NPD4224 Phase 2
0.5679 Remote Similarity NPD615 Clinical (unspecified phase)
0.5664 Remote Similarity NPD8305 Approved
0.5664 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5664 Remote Similarity NPD8306 Approved
0.5618 Remote Similarity NPD897 Approved
0.5618 Remote Similarity NPD896 Approved
0.5618 Remote Similarity NPD898 Approved
0.5614 Remote Similarity NPD8087 Discontinued
0.5607 Remote Similarity NPD7902 Approved

Structure

External Identifiers

PubChem CID   6917864
ChEMBL   CHEMBL361497
ZINC  

Physicochemical Properties

Molecular Weight:  384.18
ALogP:  0.4477
MLogP:  2.67
XLogP:  2.925
# Rotatable Bonds:  9
Polar Surface Area:  100.52
# H-Bond Aceptor:  8
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  27

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