Natural Product: NPC192674

Natural Product ID:  NPC192674
Common Name:   9-Aminocamptothecin
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H17N3O4
Standard InCHIKey:  FUXVKZWTXQUGMW-FQEVSTJZSA-N
Standard InCHI:  InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
Canonical SMILES:  CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cccc(c4cc3Cn1c2=O)N
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
NPO32524 latrunculid sponges Species NA NA South African PMID[15332840]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus GI50 11.91 nM 16413779
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 31622.8 nM 17958396
NPT323 Cell Line SW-620 Homo sapiens GI50 32.06 nM 19786608
NPT392 Cell Line SNB-75 Homo sapiens GI50 11.48 nM 3210015
NPT403 Cell Line UACC-257 Homo sapiens GI50 57.15 nM 9599262
NPT1160 Cell Line BJ Homo sapiens EC50 = 7.18 nM 10425119
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 36.9 nM 7528786
NPT1397 Cell Line INS1 Rattus norvegicus AC50 = 2132 nM 10.1016/S0960-894X(00)80319-4
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 354.8 nM 8450319
NPT384 Cell Line TK-10 Homo sapiens GI50 1629.3 nM 23891163
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 79432.8 nM 15620246
NPT111 Cell Line K562 Homo sapiens GI50 112.2 nM 25730346
NPT455 Cell Line NCI-H522 Homo sapiens GI50 18.11 nM 22365754
NPT90 Cell Line DU-145 Homo sapiens GI50 10 nM 16441069
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 20 nM 17253840
NPT1283 Individual Protein Paired box protein Pax-8 Homo sapiens AC50 < 260 nM 20189404
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 127.94 nM 14738383
NPT367 Cell Line MDA-N Homo sapiens GI50 228.56 nM 12350153
NPT2 Others Unspecified Potency 1299.5 nM 18247573
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 39810.7 nM 16499327
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 461.1 nM 18458131
NPT2 Others Unspecified Potency 410.9 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified AC50 = 348 nM 10.1007/s00044-012-0026-x
NPT83 Cell Line MCF7 Homo sapiens ID50 < 3.2 ug/ml Open TG-GATES in vivo data: Hematology
NPT2046 Cell Line EVSA-T Homo sapiens ID50 < 3.2 ug/ml Open TG-GATES in vivo data: Hematology
NPT1183 Cell Line WiDr Homo sapiens ID50 < 3.2 ug/ml Open TG-GATES in vivo data: Hematology
NPT458 Cell Line IGROV-1 Homo sapiens ID50 < 3.2 ug/ml Open TG-GATES in vivo data: Hematology
NPT573 Cell Line M19-MEL Homo sapiens ID50 < 24 ug/ml Open TG-GATES in vivo data: Hematology
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 651.3 nM Open TG-GATES in vivo data: Biochemistry
NPT2 Others Unspecified AC50 < 260 nM DrugMatrix in vivo data: Pathology
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 17782.8 nM 8277308
NPT2 Others Unspecified IC50 = 6020 nM PubChem BioAssay data set
NPT1797 Individual Protein Alpha trans-inducing protein (VP16) Herpes simplex virus (type 1 / strain 17) IC50 1991 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 10.21 nM 20359898
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 1409.2 nM DrugMatrix in vitro pharmacology data
NPT81 Cell Line A549 Homo sapiens GI50 18.79 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 64.27 nM 9599253
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 12.79 nM 24707938
NPT374 Cell Line SF-539 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 39810.7 nM 1710654
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 17782.8 nM 18053715
NPT148 Cell Line HCT-15 Homo sapiens GI50 196.79 nM 19115838
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 272.27 nM 15974630
NPT2 Others Unspecified IC50 = 8.5 nM 19700322
NPT2 Others Unspecified AC50 = 2470 nM 20155932
NPT388 Cell Line NCI-H322M Homo sapiens GI50 103.51 nM 10924160
NPT2 Others Unspecified IC50 = 620 nM 16378377
NPT407 Cell Line COLO 205 Homo sapiens GI50 156.68 nM 26222693
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 177.01 nM 23747224
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 28183.8 nM 22264149
NPT402 Cell Line Hs-578T Homo sapiens GI50 4216.97 nM 18211005
NPT2 Others Unspecified IC50 > 80000 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 562.3 nM 23294699
NPT396 Cell Line T47D Homo sapiens GI50 10 nM 11374942
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 11.78 nM PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 1309.2 nM 10.6019/CHEMBL1201861
NPT578 Cell Line SNB-78 Homo sapiens GI50 574.12 nM 19348465
NPT65 Cell Line HepG2 Homo sapiens Potency 112.2 nM 19769341
NPT391 Cell Line HCC 2998 Homo sapiens GI50 110.66 nM 26331426
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 118.03 nM 15482934
NPT394 Cell Line EKVX Homo sapiens GI50 340.41 nM 19459643
NPT2 Others Unspecified EC50 > 350000 nM 17470649
NPT406 Cell Line RXF 393 Homo sapiens GI50 40.83 nM 19371978
NPT4462 Cell Line NCI-H928 IC50 = 7.9 nM 18955526
NPT65 Cell Line HepG2 Homo sapiens IC50 = 3.5 nM 18955526
NPT368 Cell Line SN12C Homo sapiens GI50 10 nM 19651906
NPT573 Cell Line M19-MEL Homo sapiens GI50 19.82 nM 19651915
NPT380 Cell Line U-251 Homo sapiens GI50 10.76 nM 20585130
NPT457 Cell Line BT-549 Homo sapiens GI50 68.39 nM 19506058
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 1158.2 nM 21078949
NPT143 Individual Protein DNA topoisomerase I Homo sapiens IC50 = 110 nM DrugMatrix in vitro pharmacology data
NPT398 Cell Line UACC-62 Homo sapiens GI50 10.21 nM 10.1007/s00044-011-9964-y
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 22387.2 nM 10.1007/s00044-013-0484-9
NPT35 Others n.a. AC50 < 260 nM 10.1039/C4MD00399C
NPT407 Cell Line COLO 205 Homo sapiens IC50 = 6.6 nM 11473430
NPT139 Cell Line HT-29 Homo sapiens IC50 = 7.4 nM 19132934
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 207.01 nM 19318257
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 25118.9 nM 25466192
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 2238.7 nM 22264149
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 58 nM 25397992
NPT732 Cell Line HOP-18 Homo sapiens GI50 27.73 nM 26295595
NPT143 Individual Protein DNA topoisomerase I Homo sapiens Activity = 87 % 10924160
NPT308 Cell Line CAKI-1 Homo sapiens GI50 10 nM 23434030
NPT112 Cell Line MOLT-4 Homo sapiens GI50 10 nM 23360104
NPT397 Cell Line NCI-H460 Homo sapiens GI50 10 nM 22305342
NPT59 Individual Protein DNA polymerase beta Homo sapiens Potency = 50118.7 nM 11741487
NPT376 Cell Line A498 Homo sapiens GI50 79.43 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 15.7 nM PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 1309.2 nM 9677284
NPT385 Cell Line SR Homo sapiens GI50 215.28 nM 12762820
NPT395 Cell Line SF-268 Homo sapiens GI50 10 nM 3443856
NPT2 Others Unspecified AC50 = 463 nM 10377219
NPT137 Cell Line L1210 Mus musculus IC50 = 12.7 nM 21216051
NPT143 Individual Protein DNA topoisomerase I Homo sapiens IC50 = 4200 nM 21216051
NPT2 Others Unspecified EC50 > 350000 nM 22582991
NPT731 Cell Line LXFL 529 Homo sapiens GI50 243.78 nM 23550966
NPT306 Cell Line PC-3 Homo sapiens GI50 72.78 nM 10.6019/CHEMBL1201861
NPT1415 Individual Protein Heat shock factor protein 1 Mus musculus EC50 > 260000 nM Open TG-GATES in vivo data: Pathology
NPT2 Others Unspecified Potency 163.6 nM 25700232
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 1852.6 nM 19754130
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 8912.5 nM 11277756
NPT458 Cell Line IGROV-1 Homo sapiens GI50 246.04 nM 12398531
NPT2 Others Unspecified Potency 10000 nM 24689881
NPT738 Cell Line SN12K1 Homo sapiens GI50 22.7 nM 26042639
NPT2 Others Unspecified IC50 < 160 nM 23691952
NPT379 Cell Line HOP-62 Homo sapiens GI50 10 nM 20151678
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 35481.3 nM 24571273
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 237.68 nM 10869210
NPT1798 Individual Protein Photoreceptor-specific nuclear receptor Homo sapiens IC50 895.89 nM 11374943
NPT2 Others Unspecified Potency 130 nM 18512987
NPT574 Cell Line XF498 Homo sapiens GI50 143.22 nM 19949061
NPT2 Others Unspecified Potency 1299.5 nM 23586757
NPT552 Cell Line P388/ADR Mus musculus GI50 17.38 nM 23398362
NPT370 Cell Line NCI-H23 Homo sapiens GI50 10 nM 16309309
NPT83 Cell Line MCF7 Homo sapiens GI50 10 nM 23621813
NPT2 Others Unspecified Potency 1000 nM 25740159
NPT386 Cell Line KM12 Homo sapiens GI50 230.14 nM 19835393
NPT393 Cell Line HCT-116 Homo sapiens GI50 27.23 nM 19132934
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 35481.3 nM 23354070
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 79432.8 nM 18975929
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 2059.6 nM 18336005
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 76.38 nM 21643465
NPT156 Individual Protein Sphingomyelin phosphodiesterase Homo sapiens Potency 15848.9 nM 12662097
NPT576 Cell Line DMS-114 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1000 nM 17938184
NPT572 Cell Line DMS-273 Homo sapiens GI50 10 nM 19258280
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 14.83 nM DrugMatrix in vitro pharmacology data
NPT383 Cell Line SNB-19 Homo sapiens GI50 10 nM 17461599
NPT137 Cell Line L1210 Mus musculus IC50 = 12 nM 12444684
NPT577 Cell Line RXF 631 Homo sapiens GI50 37.5 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 17.5 nM 25647077
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 15848.9 nM 15387649
NPT376 Cell Line A498 Homo sapiens ID50 < 10 ug/ml DrugMatrix in vitro pharmacology data
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 44668.4 nM 17850214
NPT405 Cell Line NCI-H226 Homo sapiens ID50 < 7 ug/ml 15711537
NPT579 Cell Line DLD-1 Homo sapiens GI50 566.24 nM 18183025
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 259.3 nM 22037378
NPT143 Individual Protein DNA topoisomerase I Homo sapiens CC50 = 900 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 63.24 nM 17158054
NPT2 Others Unspecified Potency 920 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 35.65 nM 15646539
NPT387 Cell Line M14 Homo sapiens GI50 11.32 nM 12852764
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 5011.9 nM 17850214
NPT10 Individual Protein Geminin Homo sapiens Potency 2059.6 nM 2342057
NPT401 Cell Line 786-0 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 232.81 nM 19687244
NPT399 Cell Line SF-295 Homo sapiens GI50 10 nM 25443644
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 1168.9 nM 17958397
NPT143 Individual Protein DNA topoisomerase I Homo sapiens IC50 = 1800 nM 12027764
NPT137 Cell Line L1210 Mus musculus IC50 = 12.7 nM 12027764
NPT369 Cell Line ACHN Homo sapiens GI50 10 nM 16643022
NPT2 Others Unspecified Potency 1258.9 nM 19419201
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 50118.7 nM 26316467
NPT375 Cell Line Malme-3M Homo sapiens GI50 78.52 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 10 nM PubChem BioAssay data set

  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 NPC192674 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
0.9602 High Similarity NPC129909
0.927 High Similarity NPC61435
0.9266 High Similarity NPC311858
0.9153 High Similarity NPC470003
0.887 High Similarity NPC28848
0.887 High Similarity NPC14325
0.8622 High Similarity NPC151781
0.8622 High Similarity NPC74562
0.8622 High Similarity NPC316181
0.8366 Intermediate Similarity NPC128115
0.8325 Intermediate Similarity NPC477548
0.7594 Intermediate Similarity NPC65080
0.75 Intermediate Similarity NPC24864
0.745 Intermediate Similarity NPC245916
0.7427 Intermediate Similarity NPC474905
0.7366 Intermediate Similarity NPC476115
0.734 Intermediate Similarity NPC241024
0.7323 Intermediate Similarity NPC175474
0.7317 Intermediate Similarity NPC123019
0.7313 Intermediate Similarity NPC19692
0.7313 Intermediate Similarity NPC220151
0.7302 Intermediate Similarity NPC470509
0.73 Intermediate Similarity NPC55493
0.7295 Intermediate Similarity NPC277350
0.7283 Intermediate Similarity NPC281094
0.7268 Intermediate Similarity NPC471944
0.7243 Intermediate Similarity NPC471458
0.7243 Intermediate Similarity NPC82070
0.7238 Intermediate Similarity NPC470440
0.7236 Intermediate Similarity NPC111602
0.7236 Intermediate Similarity NPC196251
0.7236 Intermediate Similarity NPC102338
0.7236 Intermediate Similarity NPC63199
0.7228 Intermediate Similarity NPC289299
0.7228 Intermediate Similarity NPC57994
0.722 Intermediate Similarity NPC254240
0.722 Intermediate Similarity NPC312870
0.722 Intermediate Similarity NPC128265
0.722 Intermediate Similarity NPC199851
0.722 Intermediate Similarity NPC294909
0.7209 Intermediate Similarity NPC52254
0.7207 Intermediate Similarity NPC238499
0.7206 Intermediate Similarity NPC212213
0.7206 Intermediate Similarity NPC239954
0.7206 Intermediate Similarity NPC52557
0.7172 Intermediate Similarity NPC280290
0.717 Intermediate Similarity NPC235900
0.7166 Intermediate Similarity NPC299594
0.7163 Intermediate Similarity NPC174788
0.715 Intermediate Similarity NPC476114
0.7143 Intermediate Similarity NPC91179
0.7136 Intermediate Similarity NPC249150
0.7136 Intermediate Similarity NPC81654
0.7136 Intermediate Similarity NPC49196
0.7136 Intermediate Similarity NPC79129
0.7136 Intermediate Similarity NPC195461
0.7136 Intermediate Similarity NPC313985
0.7129 Intermediate Similarity NPC472113
0.7128 Intermediate Similarity NPC326575
0.7122 Intermediate Similarity NPC168911
0.7108 Intermediate Similarity NPC102592
0.7108 Intermediate Similarity NPC79356
0.7105 Intermediate Similarity NPC8104
0.7103 Intermediate Similarity NPC471284
0.7103 Intermediate Similarity NPC477979
0.71 Intermediate Similarity NPC472323
0.7098 Intermediate Similarity NPC470498
0.7092 Intermediate Similarity NPC270009
0.709 Intermediate Similarity NPC473320
0.7087 Intermediate Similarity NPC32200
0.708 Intermediate Similarity NPC470785
0.708 Intermediate Similarity NPC470784
0.7078 Intermediate Similarity NPC475271
0.7071 Intermediate Similarity NPC472108
0.7071 Intermediate Similarity NPC139291
0.7071 Intermediate Similarity NPC472110
0.7071 Intermediate Similarity NPC472109
0.7065 Intermediate Similarity NPC46413
0.7062 Intermediate Similarity NPC161861
0.7059 Intermediate Similarity NPC470507
0.7053 Intermediate Similarity NPC470497
0.7053 Intermediate Similarity NPC214428
0.705 Intermediate Similarity NPC66210
0.7039 Intermediate Similarity NPC50503
0.7039 Intermediate Similarity NPC470499
0.7037 Intermediate Similarity NPC96131
0.7037 Intermediate Similarity NPC312645
0.7035 Intermediate Similarity NPC228835
0.7035 Intermediate Similarity NPC21429
0.7035 Intermediate Similarity NPC184680
0.703 Intermediate Similarity NPC472112
0.703 Intermediate Similarity NPC314333
0.7027 Intermediate Similarity NPC37548
0.7016 Intermediate Similarity NPC271734
0.7016 Intermediate Similarity NPC478184
0.7016 Intermediate Similarity NPC478182
0.7011 Intermediate Similarity NPC478186
0.701 Intermediate Similarity NPC198673
0.7005 Intermediate Similarity NPC11126
0.7005 Intermediate Similarity NPC12649
0.7 Intermediate Similarity NPC472107
0.7 Intermediate Similarity NPC133003
0.7 Intermediate Similarity NPC79062
0.699 Remote Similarity NPC472122
0.699 Remote Similarity NPC24594
0.6985 Remote Similarity NPC472444
0.6985 Remote Similarity NPC472104
0.6985 Remote Similarity NPC469358
0.6978 Remote Similarity NPC277157
0.6977 Remote Similarity NPC317752
0.6974 Remote Similarity NPC472123
0.697 Remote Similarity NPC15840
0.6965 Remote Similarity NPC135601
0.6965 Remote Similarity NPC478077
0.6965 Remote Similarity NPC141612
0.6965 Remote Similarity NPC17273
0.6963 Remote Similarity NPC194881
0.6955 Remote Similarity NPC155444
0.695 Remote Similarity NPC472119
0.695 Remote Similarity NPC258480
0.6938 Remote Similarity NPC300183
0.6933 Remote Similarity NPC89987
0.693 Remote Similarity NPC318299
0.6927 Remote Similarity NPC271797
0.6927 Remote Similarity NPC21174
0.6923 Remote Similarity NPC14812
0.6923 Remote Similarity NPC6982
0.6919 Remote Similarity NPC133261
0.6919 Remote Similarity NPC472443
0.6912 Remote Similarity NPC472097
0.6909 Remote Similarity NPC2395
0.6908 Remote Similarity NPC469736
0.6907 Remote Similarity NPC472435
0.6907 Remote Similarity NPC317430
0.6905 Remote Similarity NPC162730
0.6903 Remote Similarity NPC323752
0.6903 Remote Similarity NPC323198
0.6902 Remote Similarity NPC242556
0.69 Remote Similarity NPC470205
0.6898 Remote Similarity NPC89508
0.6897 Remote Similarity NPC34271
0.6888 Remote Similarity NPC34508
0.6884 Remote Similarity NPC472105
0.6884 Remote Similarity NPC187827
0.6878 Remote Similarity NPC478141
0.6878 Remote Similarity NPC38736
0.6869 Remote Similarity NPC478158
0.6866 Remote Similarity NPC478157
0.6864 Remote Similarity NPC61813
0.6864 Remote Similarity NPC472099
0.6863 Remote Similarity NPC329858
0.6863 Remote Similarity NPC469501
0.6863 Remote Similarity NPC469470
0.6859 Remote Similarity NPC293487
0.6857 Remote Similarity NPC475506
0.6856 Remote Similarity NPC474183
0.6853 Remote Similarity NPC189812
0.6853 Remote Similarity NPC469938
0.6853 Remote Similarity NPC329688
0.6852 Remote Similarity NPC475778
0.685 Remote Similarity NPC113626
0.6849 Remote Similarity NPC281049
0.6847 Remote Similarity NPC17059
0.6845 Remote Similarity NPC187951
0.6842 Remote Similarity NPC272549
0.6837 Remote Similarity NPC234999
0.6835 Remote Similarity NPC152768
0.6835 Remote Similarity NPC148183
0.6834 Remote Similarity NPC219336
0.683 Remote Similarity NPC476491
0.6829 Remote Similarity NPC473763
0.6829 Remote Similarity NPC243716
0.6829 Remote Similarity NPC117244
0.6825 Remote Similarity NPC295898
0.6825 Remote Similarity NPC474116
0.6825 Remote Similarity NPC155143
0.682 Remote Similarity NPC234078
0.682 Remote Similarity NPC472436
0.682 Remote Similarity NPC221100
0.6816 Remote Similarity NPC235885
0.6816 Remote Similarity NPC143533
0.6814 Remote Similarity NPC14288
0.6812 Remote Similarity NPC474121
0.6812 Remote Similarity NPC294693
0.6808 Remote Similarity NPC238457
0.6808 Remote Similarity NPC18661
0.6808 Remote Similarity NPC317373
0.6806 Remote Similarity NPC250129
0.6802 Remote Similarity NPC220851
0.68 Remote Similarity NPC191382
0.68 Remote Similarity NPC56109
0.68 Remote Similarity NPC469896
0.6798 Remote Similarity NPC94752
0.6796 Remote Similarity NPC472292
0.6794 Remote Similarity NPC102008
0.6794 Remote Similarity NPC473640
0.6794 Remote Similarity NPC149708
0.6794 Remote Similarity NPC474916
0.6791 Remote Similarity NPC284102
0.6787 Remote Similarity NPC272174

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC192674 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 NPD3800 Clinical (unspecified phase)
0.9602 High Similarity NPD3785 Clinical (unspecified phase)
0.9556 High Similarity NPD6248 Phase 2
0.9556 High Similarity NPD6249 Phase 2
0.9348 High Similarity NPD5487 Phase 1
0.9348 High Similarity NPD3777 Phase 3
0.9337 High Similarity NPD6206 Phase 1
0.9286 High Similarity NPD6261 Phase 3
0.9266 High Similarity NPD5444 Phase 1
0.9081 High Similarity NPD5427 Suspended
0.895 High Similarity NPD4334 Discontinued
0.8942 High Similarity NPD4901 Clinical (unspecified phase)
0.8802 High Similarity NPD5834 Phase 3
0.8802 High Similarity NPD5835 Phase 3
0.8763 High Similarity NPD7573 Discontinued
0.8703 High Similarity NPD4315 Phase 2
0.8579 High Similarity NPD4897 Phase 2
0.8469 Intermediate Similarity NPD4900 Clinical (unspecified phase)
0.8325 Intermediate Similarity NPD5507 Approved
0.8325 Intermediate Similarity NPD5506 Approved
0.8221 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7972 Intermediate Similarity NPD7797 Approved
0.7972 Intermediate Similarity NPD7796 Approved
0.7902 Intermediate Similarity NPD7218 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD2915 Discontinued
0.7619 Intermediate Similarity NPD5104 Approved
0.7617 Intermediate Similarity NPD5075 Discontinued
0.7591 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD5020 Approved
0.7228 Intermediate Similarity NPD4602 Approved
0.722 Intermediate Similarity NPD4500 Approved
0.722 Intermediate Similarity NPD4501 Approved
0.7217 Intermediate Similarity NPD3794 Approved
0.7217 Intermediate Similarity NPD3795 Approved
0.72 Intermediate Similarity NPD3321 Discontinued
0.7186 Intermediate Similarity NPD3390 Phase 2
0.7172 Intermediate Similarity NPD4336 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5897 Approved
0.7143 Intermediate Similarity NPD5899 Approved
0.7143 Intermediate Similarity NPD5898 Approved
0.7136 Intermediate Similarity NPD4601 Approved
0.7136 Intermediate Similarity NPD4600 Approved
0.7115 Intermediate Similarity NPD6176 Phase 1
0.7101 Intermediate Similarity NPD7727 Phase 2
0.7098 Intermediate Similarity NPD6739 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD5592 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD5003 Discontinued
0.7043 Intermediate Similarity NPD2882 Phase 1
0.7042 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7482 Phase 2
0.7035 Intermediate Similarity NPD7483 Phase 2
0.703 Intermediate Similarity NPD4499 Approved
0.7023 Intermediate Similarity NPD5293 Phase 2
0.7019 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.698 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6965 Remote Similarity NPD5809 Phase 3
0.6963 Remote Similarity NPD5475 Discontinued
0.6961 Remote Similarity NPD5505 Discontinued
0.6955 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6941 Remote Similarity NPD3280 Approved
0.6938 Remote Similarity NPD7817 Phase 1
0.6934 Remote Similarity NPD6838 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7878 Phase 2
0.6923 Remote Similarity NPD7716 Approved
0.6923 Remote Similarity NPD7717 Approved
0.6919 Remote Similarity NPD7712 Clinical (unspecified phase)
0.6919 Remote Similarity NPD8114 Approved
0.6919 Remote Similarity NPD8115 Approved
0.6915 Remote Similarity NPD5555 Phase 1
0.6901 Remote Similarity NPD2509 Approved
0.6901 Remote Similarity NPD2510 Approved
0.69 Remote Similarity NPD5596 Phase 2
0.6895 Remote Similarity NPD4326 Phase 2
0.6888 Remote Similarity NPD6182 Approved
0.6888 Remote Similarity NPD43 Approved
0.6888 Remote Similarity NPD6183 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6881 Remote Similarity NPD8327 Clinical (unspecified phase)
0.6881 Remote Similarity NPD8325 Phase 3
0.6881 Remote Similarity NPD8326 Phase 3
0.6872 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6863 Remote Similarity NPD2564 Approved
0.6863 Remote Similarity NPD2565 Phase 2
0.6861 Remote Similarity NPD8289 Discontinued
0.6858 Remote Similarity NPD6263 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7594 Clinical (unspecified phase)
0.6848 Remote Similarity NPD4637 Clinical (unspecified phase)
0.684 Remote Similarity NPD3947 Discontinued
0.6825 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6814 Remote Similarity NPD8372 Clinical (unspecified phase)
0.6812 Remote Similarity NPD7619 Phase 3
0.6812 Remote Similarity NPD7618 Phase 3
0.681 Remote Similarity NPD6479 Discontinued
0.6809 Remote Similarity NPD4463 Approved
0.6809 Remote Similarity NPD4462 Approved
0.6806 Remote Similarity NPD7070 Clinical (unspecified phase)
0.6806 Remote Similarity NPD7470 Discontinued
0.6804 Remote Similarity NPD5744 Clinical (unspecified phase)
0.6804 Remote Similarity NPD7823 Clinical (unspecified phase)
0.68 Remote Similarity NPD7780 Approved
0.68 Remote Similarity NPD7781 Approved
0.6798 Remote Similarity NPD7026 Phase 2
0.6794 Remote Similarity NPD53 Approved
0.6794 Remote Similarity NPD7778 Approved
0.6794 Remote Similarity NPD7777 Approved
0.6791 Remote Similarity NPD4520 Approved
0.6789 Remote Similarity NPD6285 Phase 2
0.6779 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6769 Remote Similarity NPD4554 Clinical (unspecified phase)
0.6768 Remote Similarity NPD5065 Approved
0.6766 Remote Similarity NPD4204 Approved
0.6766 Remote Similarity NPD4203 Approved
0.6765 Remote Similarity NPD3961 Discontinued
0.6765 Remote Similarity NPD4948 Discontinued
0.6762 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6762 Remote Similarity NPD7308 Discontinued
0.6758 Remote Similarity NPD3394 Approved
0.6758 Remote Similarity NPD3393 Approved
0.6758 Remote Similarity NPD3389 Approved
0.6756 Remote Similarity NPD6292 Clinical (unspecified phase)
0.6754 Remote Similarity NPD6396 Clinical (unspecified phase)
0.6754 Remote Similarity NPD6395 Phase 2
0.6754 Remote Similarity NPD4373 Phase 2
0.675 Remote Similarity NPD4079 Approved
0.675 Remote Similarity NPD3077 Approved
0.675 Remote Similarity NPD3079 Approved
0.675 Remote Similarity NPD3078 Approved
0.675 Remote Similarity NPD4076 Approved
0.675 Remote Similarity NPD3076 Approved
0.6748 Remote Similarity NPD6630 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6742 Remote Similarity NPD7404 Approved
0.6735 Remote Similarity NPD4640 Approved
0.6735 Remote Similarity NPD4638 Approved
0.6735 Remote Similarity NPD4639 Approved
0.6734 Remote Similarity NPD4075 Phase 2
0.6734 Remote Similarity NPD5501 Discontinued
0.6733 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6731 Remote Similarity NPD7944 Discontinued
0.6716 Remote Similarity NPD6878 Phase 2
0.6716 Remote Similarity NPD2591 Phase 2
0.6716 Remote Similarity NPD6452 Discontinued
0.6716 Remote Similarity NPD5473 Discontinued
0.6716 Remote Similarity NPD6879 Phase 2
0.6715 Remote Similarity NPD4950 Approved
0.6703 Remote Similarity NPD1256 Approved
0.6703 Remote Similarity NPD1255 Approved
0.6703 Remote Similarity NPD1254 Approved
0.6703 Remote Similarity NPD1253 Approved
0.6701 Remote Similarity NPD2480 Clinical (unspecified phase)
0.67 Remote Similarity NPD3505 Approved
0.67 Remote Similarity NPD3506 Approved
0.6699 Remote Similarity NPD6281 Approved
0.6699 Remote Similarity NPD6449 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7548 Discontinued
0.6685 Remote Similarity NPD3385 Approved
0.6684 Remote Similarity NPD6158 Phase 2
0.6684 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6683 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6683 Remote Similarity NPD6492 Phase 2
0.6683 Remote Similarity NPD4399 Phase 2
0.6682 Remote Similarity NPD5901 Discontinued
0.6667 Remote Similarity NPD6227 Discontinued
0.6667 Remote Similarity NPD2590 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7666 Phase 3
0.6667 Remote Similarity NPD5088 Discontinued
0.6667 Remote Similarity NPD5140 Approved
0.6667 Remote Similarity NPD7665 Phase 2
0.6667 Remote Similarity NPD7424 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7271 Approved
0.6667 Remote Similarity NPD5138 Approved
0.6667 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6652 Remote Similarity NPD6995 Phase 1
0.6652 Remote Similarity NPD6209 Approved
0.6652 Remote Similarity NPD8406 Clinical (unspecified phase)
0.6651 Remote Similarity NPD6220 Phase 3
0.6651 Remote Similarity NPD7001 Phase 3
0.6649 Remote Similarity NPD2511 Approved
0.6637 Remote Similarity NPD5850 Phase 3
0.6636 Remote Similarity NPD4506 Discontinued
0.6636 Remote Similarity NPD6529 Discontinued
0.6635 Remote Similarity NPD4376 Phase 3
0.6633 Remote Similarity NPD750 Phase 2
0.6633 Remote Similarity NPD4550 Clinical (unspecified phase)
0.6632 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6632 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6632 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6624 Remote Similarity NPD6716 Phase 1
0.6623 Remote Similarity NPD4952 Phase 3
0.6622 Remote Similarity NPD6173 Approved
0.6621 Remote Similarity NPD6657 Clinical (unspecified phase)
0.662 Remote Similarity NPD8322 Phase 2
0.6618 Remote Similarity NPD7564 Discontinued
0.6617 Remote Similarity NPD6641 Approved
0.6617 Remote Similarity NPD6642 Approved
0.6613 Remote Similarity NPD6301 Phase 2
0.6608 Remote Similarity NPD7730 Approved
0.6608 Remote Similarity NPD7731 Approved

Structure

External Identifiers

PubChem CID   72402
ChEMBL   CHEMBL274070
ZINC  

Physicochemical Properties

Molecular Weight:  363.12
ALogP:  -2.3369
MLogP:  2.89
XLogP:  0.892
# Rotatable Bonds:  4
Polar Surface Area:  105.75
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  27

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Biological Activities  
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