Natural Product: NPC151781

Natural Product ID:  NPC151781
Common Name:   Hydroxycamptothecin
IUPAC Name:  
Synonyms:   10-Hydroxy Camptothecin; 10-Hydroxy-Camptothecin; 10-Hydroxycamptothecin; 10-Hydroxycamptothecine; Hydroxycamptothecin
Molecular Formula:   C20H16N2O5
Standard InCHIKey:  HAWSQZCWOQZXHI-FQEVSTJZSA-N
Standard InCHI:  InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
Canonical SMILES:  CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4cc3Cn1c2=O)O
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
NPO18519 Nothapodytes pittosporoides Species Icacinaceae Eukaryota TCMID*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota TCMID*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota TCM_Taiwan*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT604 Individual Protein Serum albumin Homo sapiens Activity = 1.7 8289200
NPT168 Cell Line P388 Mus musculus IC50 = 12 nM 12565975
NPT32 Organism Mus musculus Mus musculus Inhibition = 36.5 % 12565975
NPT143 Individual Protein DNA topoisomerase I Homo sapiens CC50 = 1000 nM 1846923
NPT137 Cell Line L1210 Mus musculus IC50 = 18 nM 1846923
NPT32 Organism Mus musculus Mus musculus Therapeutic index = 8 7381856
NPT2 Others Unspecified ED50 = 0.02 ug/ml 7381856
NPT3804 Cell Line Human Tumor Cell lines GI50 = 36 nM 11052802
NPT143 Individual Protein DNA topoisomerase I Homo sapiens IC50 = 110 nM 8410981
NPT605 Organism Homo sapiens Homo sapiens Activity = 16 % 8355258
NPT605 Organism Homo sapiens Homo sapiens Activity = 4 % 8355258
NPT605 Organism Homo sapiens Homo sapiens Activity = 6 % 8355258
NPT605 Organism Homo sapiens Homo sapiens Activity = 1.7 8355258
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 2470 nM 15808456
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 148 nM 15808456
NPT547 Cell Line BGC-823 Homo sapiens Activity = 4.78 % 17997321
NPT547 Cell Line BGC-823 Homo sapiens Activity = 13.2 % 17997321
NPT547 Cell Line BGC-823 Homo sapiens Activity = 6.47 % 17997321
NPT547 Cell Line BGC-823 Homo sapiens Activity = 3.72 % 17997321
NPT65 Cell Line HepG2 Homo sapiens IC50 = 5.4 nM 18318465
NPT407 Cell Line COLO 205 Homo sapiens IC50 = 9.1 nM 18318465
NPT139 Cell Line HT-29 Homo sapiens IC50 = 8.8 nM 18318465
NPT2 Others Unspecified IC50 = 6.9 nM 18318465
NPT116 Cell Line HL-60 Homo sapiens IC50 = 0.024 ug/ml 15104494
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 0.62 ug/ml 15104494
NPT116 Cell Line HL-60 Homo sapiens IC50 = 410 nM 17067169
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 280 nM 17067169
NPT2 Others Unspecified IC50 = 6490 nM 16933867
NPT83 Cell Line MCF7 Homo sapiens IC50 = 19120 nM 16933867
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 38550 nM 16933867
NPT395 Cell Line SF-268 Homo sapiens IC50 = 29880 nM 16933867
NPT111 Cell Line K562 Homo sapiens IC50 = 4100 nM 19133759
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 400 nM 19133759
NPT81 Cell Line A549 Homo sapiens IC50 = 110 nM 19541483
NPT139 Cell Line HT-29 Homo sapiens IC50 = 210 nM 19541483
NPT91 Cell Line KB Homo sapiens IC50 = 600 nM 19715319
NPT179 Cell Line A2780 Homo sapiens IC50 = 700 nM 19715319
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 200 nM 19715319
NPT2 Others Unspecified IC50 = 370 nM 19423199
NPT2 Others Unspecified IC50 = 1090 nM 19423199
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 140 nM 19842682
NPT111 Cell Line K562 Homo sapiens IC50 = 160 nM 20184290
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 360 nM 20184290
NPT65 Cell Line HepG2 Homo sapiens IC50 = 3700 nM 20402524
NPT116 Cell Line HL-60 Homo sapiens IC50 = 40 nM 20402524
NPT15 Cell Line Jurkat Homo sapiens IC50 = 30 nM 20402524
NPT466 Cell Line U-937 Homo sapiens IC50 = 110 nM 20402524
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 15848.9 nM PubChem BioAssay data set
NPT1226 Individual Protein Caspase-7 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 50.1 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 7079.5 nM PubChem BioAssay data set
NPT583 Individual Protein Inositol monophosphatase 1 Rattus norvegicus Potency = 10000 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 35481.3 nM PubChem BioAssay data set
NPT2930 Individual Protein Hemoglobin beta chain Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 1584.9 nM PubChem BioAssay data set
NPT277 Individual Protein Caspase-1 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT91 Cell Line KB Homo sapiens IC50 = 829 nM 21414778
NPT65 Cell Line HepG2 Homo sapiens IC50 = 981 nM 21414778
NPT2 Others Unspecified IC50 = 496 nM 21414778
NPT2 Others Unspecified IC50 = 230 nM 21600681
NPT2 Others Unspecified IC50 = 1040 nM 21600681
NPT65 Cell Line HepG2 Homo sapiens Inhibition = 92 % 21807514
NPT368 Cell Line SN12C Homo sapiens GI50 12.85 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 141.58 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 11.56 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 17.58 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 23.44 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 27.73 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 16.07 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 8.26 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 27.61 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 49.77 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 86.3 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 31.48 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 45.71 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 9.441 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 23.17 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 10.91 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 7.499 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 46.99 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 14.16 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 866.96 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 8.414 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 17.7 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 2685.34 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 24.6 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 51.29 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 10.54 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 105.44 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 33.57 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 26.24 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 106.91 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 156.31 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 92.04 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 33.73 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 20.32 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 54.33 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 473.15 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 50.58 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 83.37 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 35.16 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 14 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 295.12 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 15.67 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 16.41 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 83.95 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 62.95 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 7.499 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 150.31 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 13.61 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 22.7 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 13.93 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 7.499 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 30.41 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 45.29 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 9.705 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 476.43 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 18.41 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 24.1 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 1042.32 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 23.12 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 41.21 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 247.74 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 7.499 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 1196.74 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 13.4 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 118.3 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 74.47 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 23.6 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 125.31 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 109.14 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 31.2 nM 22647222
NPT81 Cell Line A549 Homo sapiens IC50 = 33.6 nM 22647222
NPT3140 Cell Line MGC-803 Homo sapiens GI = 29.1 % 23124210
NPT1872 Cell Line Bcap37 Homo sapiens GI = 28.1 % 23124210
NPT886 Cell Line NIH3T3 Mus musculus GI = 9.3 % 23124210
NPT3140 Cell Line MGC-803 Homo sapiens IC50 > 20000 nM 23124210
NPT1872 Cell Line Bcap37 Homo sapiens IC50 > 20000 nM 23124210
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 17.37 % 23124210
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 18.66 % 23124210
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 24.95 % 23124210
NPT306 Cell Line PC-3 Homo sapiens IC50 = 78 nM 22959246
NPT179 Cell Line A2780 Homo sapiens IC50 = 4 nM 22959246
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -5.24 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 6.63 % 23062825
NPT165 Cell Line HeLa Homo sapiens IC50 = 29500 nM 23092389
NPT2 Others Unspecified IC50 = 21300 nM 23092389
NPT2 Others Unspecified Potency 58 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 20.6 nM PubChem BioAssay data set
NPT91 Cell Line KB Homo sapiens IC50 = 600 nM 23566520
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 300 nM 23566520
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 200 nM 23566520
NPT81 Cell Line A549 Homo sapiens IC50 = 70 nM 23566520
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 60 nM 23566520
NPT1083 Cell Line A-375 Homo sapiens IC50 = 150 nM 23639650
NPT81 Cell Line A549 Homo sapiens IC50 = 300 nM 23639650
NPT116 Cell Line HL-60 Homo sapiens IC50 = 250 nM 23639650
NPT306 Cell Line PC-3 Homo sapiens Activity = 17 % 23811258
NPT306 Cell Line PC-3 Homo sapiens Activity = 8.3 % 23811258
NPT306 Cell Line PC-3 Homo sapiens Activity = 38.2 % 23811258
NPT306 Cell Line PC-3 Homo sapiens Activity = 19.8 % 23811258
NPT306 Cell Line PC-3 Homo sapiens Activity = 12.8 % 23811258
NPT306 Cell Line PC-3 Homo sapiens Activity = 11.9 % 23811258
NPT306 Cell Line PC-3 Homo sapiens Activity = 7.4 % 23811258
NPT306 Cell Line PC-3 Homo sapiens Activity = 5.7 % 23811258
NPT65 Cell Line HepG2 Homo sapiens GI = 85.4 % 24012683
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 24.5 % 10.1007/s00044-013-0854-3
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 7.6 % 10.1007/s00044-013-0854-3
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 4.7 % 10.1007/s00044-013-0854-3
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 8.6 % 10.1007/s00044-013-0854-3
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 5.8 % 10.1007/s00044-013-0854-3
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 2 % 10.1007/s00044-013-0854-3
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 3 % 10.1007/s00044-013-0854-3
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 1.8 % 10.1007/s00044-013-0854-3
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 1.2 % 10.1007/s00044-013-0854-3
NPT2 Others Unspecified Potency 112.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1258.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 251.2 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI = 17.1 % 10.1039/C1MD00038A
NPT306 Cell Line PC-3 Homo sapiens GI = 37 % 10.1039/C1MD00038A
NPT1872 Cell Line Bcap37 Homo sapiens GI = 8.8 % 10.1039/C1MD00038A
NPT1872 Cell Line Bcap37 Homo sapiens GI = 33.5 % 10.1039/C1MD00038A
NPT2 Others Unspecified GI = 7.3 % 10.1039/C1MD00038A
NPT2 Others Unspecified GI = 26.5 % 10.1039/C1MD00038A
NPT91 Cell Line KB Homo sapiens IC50 = 128 nM 25481395
NPT65 Cell Line HepG2 Homo sapiens IC50 = 499 nM 25481395
NPT2 Others Unspecified IC50 = 181 nM 25481395
NPT2 Others Unspecified IC50 = 835 nM 25481395
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 1.3 % 25064351
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 1.8 % 25064351
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 3.5 % 25064351
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 2.1 % 25064351
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 6 % 25064351
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 9.1 % 25064351
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 3.8 % 25064351
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 7.3 % 25064351
NPT3140 Cell Line MGC-803 Homo sapiens Activity = 18.6 % 25064351
NPT3140 Cell Line MGC-803 Homo sapiens IC50 = 29100 nM 25874331
NPT2 Others Unspecified IC50 = 34500 nM 25874331
NPT1872 Cell Line Bcap37 Homo sapiens IC50 = 28100 nM 25874331
NPT1174 Cell Line A375 Homo sapiens IC50 = 27800 nM 25874331
NPT83 Cell Line MCF7 Homo sapiens IC50 = 48200 nM 25874331
NPT3140 Cell Line MGC-803 Homo sapiens IC50 = 29100 nM 26280921
NPT306 Cell Line PC-3 Homo sapiens IC50 = 34500 nM 26280921
NPT1872 Cell Line Bcap37 Homo sapiens IC50 = 28100 nM 26280921
NPT1174 Cell Line A375 Homo sapiens IC50 = 27800 nM 26280921
NPT83 Cell Line MCF7 Homo sapiens IC50 = 48200 nM 26280921
NPT81 Cell Line A549 Homo sapiens IC50 = 82 nM 26725027
NPT65 Cell Line HepG2 Homo sapiens IC50 = 2270 nM 26725027
NPT2 Others Unspecified IC50 = 58620 nM 26725027

  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 NPC151781 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 NPC316181
1.0 High Similarity NPC74562
0.901 High Similarity NPC128115
0.8942 High Similarity NPC129909
0.8639 High Similarity NPC61435
0.8632 High Similarity NPC311858
0.8622 High Similarity NPC192674
0.8526 High Similarity NPC470003
0.8263 Intermediate Similarity NPC28848
0.8263 Intermediate Similarity NPC14325
0.7799 Intermediate Similarity NPC53344
0.7778 Intermediate Similarity NPC211813
0.7751 Intermediate Similarity NPC474145
0.7751 Intermediate Similarity NPC475841
0.7725 Intermediate Similarity NPC477548
0.77 Intermediate Similarity NPC472098
0.7696 Intermediate Similarity NPC472099
0.7681 Intermediate Similarity NPC249040
0.7667 Intermediate Similarity NPC472111
0.7644 Intermediate Similarity NPC477549
0.7594 Intermediate Similarity NPC82548
0.7593 Intermediate Similarity NPC469928
0.7577 Intermediate Similarity NPC474183
0.7577 Intermediate Similarity NPC470785
0.7577 Intermediate Similarity NPC470784
0.7566 Intermediate Similarity NPC272549
0.7547 Intermediate Similarity NPC270918
0.7533 Intermediate Similarity NPC184680
0.7532 Intermediate Similarity NPC472435
0.7524 Intermediate Similarity NPC295898
0.7524 Intermediate Similarity NPC276517
0.7489 Intermediate Similarity NPC157931
0.7488 Intermediate Similarity NPC476098
0.7464 Intermediate Similarity NPC280714
0.7437 Intermediate Similarity NPC472436
0.7416 Intermediate Similarity NPC239954
0.7416 Intermediate Similarity NPC212213
0.7406 Intermediate Similarity NPC53144
0.7406 Intermediate Similarity NPC200836
0.7402 Intermediate Similarity NPC66083
0.7401 Intermediate Similarity NPC323752
0.7401 Intermediate Similarity NPC323198
0.7399 Intermediate Similarity NPC473449
0.7391 Intermediate Similarity NPC475816
0.7387 Intermediate Similarity NPC478141
0.7383 Intermediate Similarity NPC88008
0.7378 Intermediate Similarity NPC311906
0.7373 Intermediate Similarity NPC264176
0.7368 Intermediate Similarity NPC156704
0.7353 Intermediate Similarity NPC194040
0.7348 Intermediate Similarity NPC82472
0.7333 Intermediate Similarity NPC168911
0.7315 Intermediate Similarity NPC469589
0.7313 Intermediate Similarity NPC14288
0.7302 Intermediate Similarity NPC193238
0.7289 Intermediate Similarity NPC319232
0.7289 Intermediate Similarity NPC24370
0.7286 Intermediate Similarity NPC90229
0.7285 Intermediate Similarity NPC96321
0.7284 Intermediate Similarity NPC99891
0.7281 Intermediate Similarity NPC475720
0.7281 Intermediate Similarity NPC474192
0.7273 Intermediate Similarity NPC148183
0.7273 Intermediate Similarity NPC152768
0.7269 Intermediate Similarity NPC287208
0.7265 Intermediate Similarity NPC472434
0.7257 Intermediate Similarity NPC473800
0.7257 Intermediate Similarity NPC34580
0.7257 Intermediate Similarity NPC257851
0.7257 Intermediate Similarity NPC118559
0.7257 Intermediate Similarity NPC124920
0.7257 Intermediate Similarity NPC304307
0.7255 Intermediate Similarity NPC320394
0.7243 Intermediate Similarity NPC223427
0.7235 Intermediate Similarity NPC476116
0.7235 Intermediate Similarity NPC174672
0.7235 Intermediate Similarity NPC174758
0.7232 Intermediate Similarity NPC280272
0.7225 Intermediate Similarity NPC198673
0.7225 Intermediate Similarity NPC100547
0.7225 Intermediate Similarity NPC230403
0.722 Intermediate Similarity NPC478006
0.7209 Intermediate Similarity NPC329708
0.7209 Intermediate Similarity NPC475070
0.7209 Intermediate Similarity NPC47059
0.7209 Intermediate Similarity NPC165349
0.7209 Intermediate Similarity NPC274291
0.7209 Intermediate Similarity NPC264166
0.7209 Intermediate Similarity NPC118832
0.7207 Intermediate Similarity NPC469594
0.7207 Intermediate Similarity NPC303658
0.7202 Intermediate Similarity NPC85273
0.7202 Intermediate Similarity NPC471304
0.7195 Intermediate Similarity NPC330009
0.7193 Intermediate Similarity NPC322135
0.7193 Intermediate Similarity NPC223409
0.7193 Intermediate Similarity NPC95240
0.7186 Intermediate Similarity NPC65080
0.7185 Intermediate Similarity NPC181081
0.7184 Intermediate Similarity NPC315467
0.7182 Intermediate Similarity NPC471080
0.7182 Intermediate Similarity NPC469592
0.7181 Intermediate Similarity NPC261251
0.7175 Intermediate Similarity NPC313804
0.7175 Intermediate Similarity NPC315804
0.7174 Intermediate Similarity NPC284888
0.7168 Intermediate Similarity NPC21638
0.7167 Intermediate Similarity NPC303374
0.7162 Intermediate Similarity NPC469727
0.7156 Intermediate Similarity NPC220851
0.7154 Intermediate Similarity NPC478009
0.7154 Intermediate Similarity NPC478010
0.7149 Intermediate Similarity NPC194740
0.7149 Intermediate Similarity NPC471762
0.7143 Intermediate Similarity NPC79293
0.7143 Intermediate Similarity NPC279401
0.7137 Intermediate Similarity NPC214142
0.713 Intermediate Similarity NPC54803
0.713 Intermediate Similarity NPC321592
0.713 Intermediate Similarity NPC314270
0.7125 Intermediate Similarity NPC314882
0.7125 Intermediate Similarity NPC329982
0.7123 Intermediate Similarity NPC309845
0.7123 Intermediate Similarity NPC5145
0.7122 Intermediate Similarity NPC176127
0.7115 Intermediate Similarity NPC183805
0.7109 Intermediate Similarity NPC57994
0.7109 Intermediate Similarity NPC289299
0.7105 Intermediate Similarity NPC186351
0.7104 Intermediate Similarity NPC266931
0.7103 Intermediate Similarity NPC329793
0.7103 Intermediate Similarity NPC315491
0.7103 Intermediate Similarity NPC45459
0.7101 Intermediate Similarity NPC171171
0.7101 Intermediate Similarity NPC204385
0.71 Intermediate Similarity NPC141053
0.7098 Intermediate Similarity NPC74360
0.7097 Intermediate Similarity NPC277350
0.7094 Intermediate Similarity NPC283152
0.7089 Intermediate Similarity NPC306376
0.7089 Intermediate Similarity NPC469734
0.7085 Intermediate Similarity NPC305984
0.7083 Intermediate Similarity NPC189079
0.7079 Intermediate Similarity NPC312872
0.7076 Intermediate Similarity NPC316224
0.7076 Intermediate Similarity NPC188400
0.7075 Intermediate Similarity NPC245916
0.7072 Intermediate Similarity NPC16066
0.707 Intermediate Similarity NPC471944
0.7069 Intermediate Similarity NPC33064
0.7069 Intermediate Similarity NPC245055
0.7064 Intermediate Similarity NPC474905
0.7056 Intermediate Similarity NPC241024
0.7056 Intermediate Similarity NPC32200
0.7053 Intermediate Similarity NPC314002
0.7047 Intermediate Similarity NPC260909
0.7044 Intermediate Similarity NPC288943
0.7042 Intermediate Similarity NPC133609
0.704 Intermediate Similarity NPC274982
0.704 Intermediate Similarity NPC322064
0.7037 Intermediate Similarity NPC123019
0.7031 Intermediate Similarity NPC470126
0.7027 Intermediate Similarity NPC478074
0.7026 Intermediate Similarity NPC220852
0.7024 Intermediate Similarity NPC24864
0.7023 Intermediate Similarity NPC213308
0.7019 Intermediate Similarity NPC66210
0.7018 Intermediate Similarity NPC472287
0.7018 Intermediate Similarity NPC472286
0.7014 Intermediate Similarity NPC99666
0.7014 Intermediate Similarity NPC55493
0.7012 Intermediate Similarity NPC478012
0.7012 Intermediate Similarity NPC478011
0.701 Intermediate Similarity NPC326575
0.7009 Intermediate Similarity NPC285343
0.7009 Intermediate Similarity NPC184225
0.7009 Intermediate Similarity NPC312645
0.7009 Intermediate Similarity NPC102008
0.7005 Intermediate Similarity NPC204717
0.7005 Intermediate Similarity NPC317572
0.7005 Intermediate Similarity NPC476115
0.7004 Intermediate Similarity NPC314056
0.7 Intermediate Similarity NPC66777
0.7 Intermediate Similarity NPC144381
0.6996 Remote Similarity NPC477979
0.6995 Remote Similarity NPC303225
0.699 Remote Similarity NPC206201
0.6986 Remote Similarity NPC472323
0.6986 Remote Similarity NPC321428
0.6984 Remote Similarity NPC314176
0.6982 Remote Similarity NPC112206
0.6982 Remote Similarity NPC235900
0.6982 Remote Similarity NPC202605
0.6981 Remote Similarity NPC307963
0.6976 Remote Similarity NPC72980
0.6974 Remote Similarity NPC26872
0.6971 Remote Similarity NPC313587
0.6971 Remote Similarity NPC315893
0.6971 Remote Similarity NPC316110
0.6964 Remote Similarity NPC74969

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC151781 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
0.9947 High Similarity NPD4897 Phase 2
0.9643 High Similarity NPD5506 Approved
0.9643 High Similarity NPD5507 Approved
0.9216 High Similarity NPD7589 Clinical (unspecified phase)
0.9126 High Similarity NPD7796 Approved
0.9126 High Similarity NPD7797 Approved
0.9026 High Similarity NPD4901 Clinical (unspecified phase)
0.8942 High Similarity NPD3785 Clinical (unspecified phase)
0.8711 High Similarity NPD6206 Phase 1
0.8692 High Similarity NPD7025 Clinical (unspecified phase)
0.8667 High Similarity NPD6261 Phase 3
0.8657 High Similarity NPD4900 Clinical (unspecified phase)
0.8632 High Similarity NPD5444 Phase 1
0.8622 High Similarity NPD6249 Phase 2
0.8622 High Similarity NPD3800 Clinical (unspecified phase)
0.8622 High Similarity NPD6248 Phase 2
0.845 Intermediate Similarity NPD5487 Phase 1
0.8446 Intermediate Similarity NPD4334 Discontinued
0.8358 Intermediate Similarity NPD3777 Phase 3
0.8223 Intermediate Similarity NPD4315 Phase 2
0.8119 Intermediate Similarity NPD5427 Suspended
0.7981 Intermediate Similarity NPD5834 Phase 3
0.7981 Intermediate Similarity NPD5835 Phase 3
0.77 Intermediate Similarity NPD7573 Discontinued
0.7653 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD7222 Phase 2
0.7512 Intermediate Similarity NPD7218 Clinical (unspecified phase)
0.7489 Intermediate Similarity NPD8463 Approved
0.7489 Intermediate Similarity NPD4328 Approved
0.7466 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD4418 Discontinued
0.7415 Intermediate Similarity NPD3321 Discontinued
0.7413 Intermediate Similarity NPD4204 Approved
0.7413 Intermediate Similarity NPD4203 Approved
0.7389 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD7538 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD5293 Phase 2
0.7302 Intermediate Similarity NPD7453 Approved
0.7302 Intermediate Similarity NPD7452 Approved
0.7301 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.7269 Intermediate Similarity NPD5658 Approved
0.7257 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD6716 Phase 1
0.7252 Intermediate Similarity NPD3258 Approved
0.7249 Intermediate Similarity NPD4373 Phase 2
0.7248 Intermediate Similarity NPD5416 Discontinued
0.7246 Intermediate Similarity NPD8102 Discontinued
0.7225 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD3263 Phase 3
0.7209 Intermediate Similarity NPD4035 Approved
0.7209 Intermediate Similarity NPD32 Approved
0.7209 Intermediate Similarity NPD4033 Approved
0.7209 Intermediate Similarity NPD4122 Approved
0.7209 Intermediate Similarity NPD4037 Approved
0.7209 Intermediate Similarity NPD4039 Approved
0.7209 Intermediate Similarity NPD31 Approved
0.7209 Intermediate Similarity NPD4036 Approved
0.7209 Intermediate Similarity NPD4034 Approved
0.7209 Intermediate Similarity NPD4038 Approved
0.7207 Intermediate Similarity NPD7395 Discontinued
0.7206 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD4885 Approved
0.7189 Intermediate Similarity NPD2916 Discontinued
0.7174 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD6247 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD8016 Phase 3
0.7162 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD5488 Discontinued
0.7156 Intermediate Similarity NPD8356 Approved
0.7156 Intermediate Similarity NPD5512 Phase 3
0.715 Intermediate Similarity NPD3390 Phase 2
0.7149 Intermediate Similarity NPD5559 Phase 2
0.7143 Intermediate Similarity NPD8479 Phase 2
0.7137 Intermediate Similarity NPD7603 Discontinued
0.7136 Intermediate Similarity NPD5075 Discontinued
0.7136 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6138 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD5104 Approved
0.7123 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD2915 Discontinued
0.7118 Intermediate Similarity NPD4952 Phase 3
0.7117 Intermediate Similarity NPD5612 Discontinued
0.7116 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD6376 Discontinued
0.7109 Intermediate Similarity NPD4602 Approved
0.7105 Intermediate Similarity NPD8430 Approved
0.7103 Intermediate Similarity NPD484 Approved
0.7098 Intermediate Similarity NPD2882 Phase 1
0.7097 Intermediate Similarity NPD5530 Phase 1
0.7094 Intermediate Similarity NPD6159 Phase 2
0.708 Intermediate Similarity NPD6209 Approved
0.7075 Intermediate Similarity NPD6550 Discontinued
0.7072 Intermediate Similarity NPD3257 Approved
0.7067 Intermediate Similarity NPD2383 Phase 1
0.7064 Intermediate Similarity NPD5429 Discontinued
0.7061 Intermediate Similarity NPD7426 Phase 1
0.7059 Intermediate Similarity NPD7069 Discontinued
0.7054 Intermediate Similarity NPD3354 Phase 2
0.7054 Intermediate Similarity NPD8370 Discontinued
0.7051 Intermediate Similarity NPD3946 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7548 Discontinued
0.7047 Intermediate Similarity NPD8460 Approved
0.7047 Intermediate Similarity NPD8459 Approved
0.7042 Intermediate Similarity NPD5003 Discontinued
0.7033 Intermediate Similarity NPD6965 Clinical (unspecified phase)
0.7028 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD3925 Approved
0.7013 Intermediate Similarity NPD6962 Phase 2
0.7013 Intermediate Similarity NPD7284 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD53 Approved
0.7009 Intermediate Similarity NPD7889 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD7778 Approved
0.7009 Intermediate Similarity NPD7777 Approved
0.7005 Intermediate Similarity NPD5513 Phase 2
0.7 Intermediate Similarity NPD4081 Clinical (unspecified phase)
0.6991 Remote Similarity NPD6242 Discontinued
0.6987 Remote Similarity NPD5640 Discontinued
0.6982 Remote Similarity NPD5866 Approved
0.6981 Remote Similarity NPD1038 Approved
0.6981 Remote Similarity NPD1304 Clinical (unspecified phase)
0.6978 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6962 Remote Similarity NPD7022 Phase 2
0.6957 Remote Similarity NPD8467 Approved
0.6957 Remote Similarity NPD8465 Approved
0.6957 Remote Similarity NPD8466 Approved
0.6957 Remote Similarity NPD4086 Phase 1
0.6947 Remote Similarity NPD7194 Discontinued
0.6939 Remote Similarity NPD7955 Approved
0.6939 Remote Similarity NPD7956 Approved
0.6929 Remote Similarity NPD3809 Discontinued
0.6923 Remote Similarity NPD7807 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6158 Phase 2
0.692 Remote Similarity NPD4667 Clinical (unspecified phase)
0.692 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6919 Remote Similarity NPD2565 Phase 2
0.6919 Remote Similarity NPD2564 Approved
0.6914 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6912 Remote Similarity NPD4511 Phase 1
0.691 Remote Similarity NPD7031 Phase 1
0.6909 Remote Similarity NPD6838 Clinical (unspecified phase)
0.6903 Remote Similarity NPD5632 Approved
0.6894 Remote Similarity NPD7853 Phase 2
0.689 Remote Similarity NPD8429 Approved
0.689 Remote Similarity NPD8428 Approved
0.689 Remote Similarity NPD8427 Approved
0.6889 Remote Similarity NPD7112 Discontinued
0.6887 Remote Similarity NPD1924 Approved
0.6884 Remote Similarity NPD6988 Phase 1
0.6883 Remote Similarity NPD4845 Discontinued
0.688 Remote Similarity NPD8421 Discontinued
0.6875 Remote Similarity NPD3243 Approved
0.6875 Remote Similarity NPD3794 Approved
0.6875 Remote Similarity NPD3795 Approved
0.6872 Remote Similarity NPD7203 Clinical (unspecified phase)
0.6872 Remote Similarity NPD7859 Phase 2
0.6866 Remote Similarity NPD5497 Clinical (unspecified phase)
0.6866 Remote Similarity NPD4501 Approved
0.6866 Remote Similarity NPD4601 Approved
0.6866 Remote Similarity NPD4500 Approved
0.6866 Remote Similarity NPD4600 Approved
0.6864 Remote Similarity NPD5601 Phase 2
0.6864 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6864 Remote Similarity NPD3003 Approved
0.686 Remote Similarity NPD5897 Approved
0.686 Remote Similarity NPD5899 Approved
0.686 Remote Similarity NPD5898 Approved
0.686 Remote Similarity NPD8101 Phase 3
0.6858 Remote Similarity NPD3440 Clinical (unspecified phase)
0.6858 Remote Similarity NPD4989 Phase 2
0.6857 Remote Similarity NPD6961 Discontinued
0.6854 Remote Similarity NPD6569 Phase 2
0.6853 Remote Similarity NPD5014 Discontinued
0.6851 Remote Similarity NPD6963 Approved
0.6851 Remote Similarity NPD6964 Approved
0.6849 Remote Similarity NPD6991 Approved
0.6849 Remote Similarity NPD6176 Phase 1
0.6848 Remote Similarity NPD8426 Approved
0.6848 Remote Similarity NPD8425 Approved
0.6846 Remote Similarity NPD6276 Discontinued
0.6846 Remote Similarity NPD7868 Clinical (unspecified phase)
0.6846 Remote Similarity NPD7996 Phase 2
0.6844 Remote Similarity NPD5148 Clinical (unspecified phase)
0.6844 Remote Similarity NPD5149 Phase 2
0.6842 Remote Similarity NPD7708 Approved
0.6835 Remote Similarity NPD7729 Clinical (unspecified phase)
0.6829 Remote Similarity NPD8091 Phase 3
0.6828 Remote Similarity NPD6568 Discontinued
0.6825 Remote Similarity NPD6393 Clinical (unspecified phase)
0.6825 Remote Similarity NPD6141 Clinical (unspecified phase)
0.6824 Remote Similarity NPD5022 Discontinued
0.682 Remote Similarity NPD2176 Approved
0.682 Remote Similarity NPD2177 Approved
0.682 Remote Similarity NPD2175 Phase 3
0.682 Remote Similarity NPD1768 Approved

Structure

External Identifiers

PubChem CID   97226
ChEMBL   CHEMBL273862
ZINC  

Physicochemical Properties

Molecular Weight:  364.11
ALogP:  -2.0473
MLogP:  2.89
XLogP:  0.959
# Rotatable Bonds:  4
Polar Surface Area:  99.96
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  27

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Biological Activities  
Similar NPs/Drugs