Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 168267.41 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 210862.81 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 174180.69 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 304789.5 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 177010.9 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT572 | Cell Line | DMS-273 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT573 | Cell Line | M19-MEL | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT574 | Cell Line | XF498 | Homo sapiens | GI50 | 359749.34 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT168 | Cell Line | P388 | Mus musculus | GI50 | 174180.69 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 59429.22 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT575 | Cell Line | KM-20L2 | Homo sapiens | GI50 | 196788.63 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 362243 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 59429.22 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT576 | Cell Line | DMS-114 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT552 | Cell Line | P388/ADR | Mus musculus | GI50 | 80723.5 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT578 | Cell Line | SNB-78 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT579 | Cell Line | DLD-1 | Homo sapiens | GI50 | 80723.5 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT732 | Cell Line | HOP-18 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set | |
NPT738 | Cell Line | SN12K1 | Homo sapiens | GI50 | 374973 | nM | PubChem BioAssay data set |
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 NPC96080 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 | NPC208118 |
1.0 | High Similarity | NPC99905 |
0.9464 | High Similarity | NPC475887 |
0.9402 | High Similarity | NPC476497 |
0.9322 | High Similarity | NPC476967 |
0.9316 | High Similarity | NPC476501 |
0.9182 | High Similarity | NPC139778 |
0.8909 | High Similarity | NPC8009 |
0.8909 | High Similarity | NPC83047 |
0.8909 | High Similarity | NPC48127 |
0.8909 | High Similarity | NPC267217 |
0.872 | High Similarity | NPC474210 |
0.8151 | Intermediate Similarity | NPC476502 |
0.7538 | Intermediate Similarity | NPC309249 |
0.7462 | Intermediate Similarity | NPC212106 |
0.7154 | Intermediate Similarity | NPC287764 |
0.7054 | Intermediate Similarity | NPC470594 |
0.7054 | Intermediate Similarity | NPC470593 |
0.7 | Intermediate Similarity | NPC476504 |
0.697 | Remote Similarity | NPC476503 |
0.6929 | Remote Similarity | NPC476499 |
0.6818 | Remote Similarity | NPC109533 |
0.6772 | Remote Similarity | NPC476498 |
0.6739 | Remote Similarity | NPC262050 |
0.6639 | Remote Similarity | NPC155985 |
0.6639 | Remote Similarity | NPC475518 |
0.6589 | Remote Similarity | NPC28224 |
0.6583 | Remote Similarity | NPC289140 |
0.6557 | Remote Similarity | NPC201712 |
0.6545 | Remote Similarity | NPC18857 |
0.6545 | Remote Similarity | NPC67657 |
0.6508 | Remote Similarity | NPC317534 |
0.6508 | Remote Similarity | NPC46981 |
0.6489 | Remote Similarity | NPC476955 |
0.6475 | Remote Similarity | NPC220111 |
0.6475 | Remote Similarity | NPC475249 |
0.6471 | Remote Similarity | NPC277774 |
0.6455 | Remote Similarity | NPC477227 |
0.6455 | Remote Similarity | NPC192046 |
0.6455 | Remote Similarity | NPC302578 |
0.6455 | Remote Similarity | NPC185915 |
0.6455 | Remote Similarity | NPC105208 |
0.6455 | Remote Similarity | NPC128951 |
0.6417 | Remote Similarity | NPC3538 |
0.6417 | Remote Similarity | NPC113500 |
0.6417 | Remote Similarity | NPC477224 |
0.6393 | Remote Similarity | NPC473537 |
0.6387 | Remote Similarity | NPC36372 |
0.6387 | Remote Similarity | NPC293609 |
0.6379 | Remote Similarity | NPC471240 |
0.6378 | Remote Similarity | NPC478053 |
0.637 | Remote Similarity | NPC238323 |
0.6364 | Remote Similarity | NPC163597 |
0.6364 | Remote Similarity | NPC92196 |
0.6356 | Remote Similarity | NPC228059 |
0.6341 | Remote Similarity | NPC252564 |
0.6339 | Remote Similarity | NPC287452 |
0.6339 | Remote Similarity | NPC81074 |
0.6339 | Remote Similarity | NPC269333 |
0.6339 | Remote Similarity | NPC477282 |
0.6333 | Remote Similarity | NPC311246 |
0.6333 | Remote Similarity | NPC167644 |
0.6324 | Remote Similarity | NPC478138 |
0.6324 | Remote Similarity | NPC139857 |
0.6316 | Remote Similarity | NPC475388 |
0.6311 | Remote Similarity | NPC473287 |
0.6303 | Remote Similarity | NPC223143 |
0.6303 | Remote Similarity | NPC279329 |
0.6303 | Remote Similarity | NPC312637 |
0.6293 | Remote Similarity | NPC273290 |
0.6293 | Remote Similarity | NPC266651 |
0.6293 | Remote Similarity | NPC232044 |
0.6283 | Remote Similarity | NPC16449 |
0.6281 | Remote Similarity | NPC309866 |
0.6273 | Remote Similarity | NPC196136 |
0.6273 | Remote Similarity | NPC317242 |
0.6273 | Remote Similarity | NPC158208 |
0.6273 | Remote Similarity | NPC243027 |
0.6271 | Remote Similarity | NPC128475 |
0.627 | Remote Similarity | NPC241879 |
0.6261 | Remote Similarity | NPC478054 |
0.626 | Remote Similarity | NPC477222 |
0.626 | Remote Similarity | NPC292819 |
0.626 | Remote Similarity | NPC477223 |
0.625 | Remote Similarity | NPC5632 |
0.625 | Remote Similarity | NPC149966 |
0.625 | Remote Similarity | NPC59006 |
0.6241 | Remote Similarity | NPC165396 |
0.6232 | Remote Similarity | NPC75839 |
0.6232 | Remote Similarity | NPC68327 |
0.623 | Remote Similarity | NPC473064 |
0.623 | Remote Similarity | NPC473067 |
0.623 | Remote Similarity | NPC473065 |
0.622 | Remote Similarity | NPC212874 |
0.6218 | Remote Similarity | NPC102725 |
0.6218 | Remote Similarity | NPC473472 |
0.6212 | Remote Similarity | NPC478137 |
0.621 | Remote Similarity | NPC473638 |
0.6207 | Remote Similarity | NPC320824 |
0.6207 | Remote Similarity | NPC227260 |
0.6202 | Remote Similarity | NPC470595 |
0.6194 | Remote Similarity | NPC39485 |
0.6194 | Remote Similarity | NPC221196 |
0.6187 | Remote Similarity | NPC48886 |
0.6187 | Remote Similarity | NPC265275 |
0.6187 | Remote Similarity | NPC94881 |
0.6186 | Remote Similarity | NPC161928 |
0.6186 | Remote Similarity | NPC5943 |
0.6186 | Remote Similarity | NPC21035 |
0.6186 | Remote Similarity | NPC472396 |
0.6186 | Remote Similarity | NPC210658 |
0.6182 | Remote Similarity | NPC10476 |
0.6182 | Remote Similarity | NPC192501 |
0.6182 | Remote Similarity | NPC48795 |
0.6182 | Remote Similarity | NPC228994 |
0.6182 | Remote Similarity | NPC304499 |
0.6179 | Remote Similarity | NPC156377 |
0.6167 | Remote Similarity | NPC473542 |
0.6161 | Remote Similarity | NPC133596 |
0.6161 | Remote Similarity | NPC11907 |
0.6161 | Remote Similarity | NPC64081 |
0.6161 | Remote Similarity | NPC474574 |
0.6154 | Remote Similarity | NPC290612 |
0.6148 | Remote Similarity | NPC175 |
0.6148 | Remote Similarity | NPC252253 |
0.6148 | Remote Similarity | NPC473774 |
0.6148 | Remote Similarity | NPC45959 |
0.6148 | Remote Similarity | NPC475325 |
0.6148 | Remote Similarity | NPC24960 |
0.6148 | Remote Similarity | NPC473503 |
0.6148 | Remote Similarity | NPC30687 |
0.6134 | Remote Similarity | NPC281004 |
0.6129 | Remote Similarity | NPC470028 |
0.6129 | Remote Similarity | NPC233649 |
0.6116 | Remote Similarity | NPC204881 |
0.6116 | Remote Similarity | NPC473830 |
0.6116 | Remote Similarity | NPC473066 |
0.6115 | Remote Similarity | NPC296686 |
0.6111 | Remote Similarity | NPC477225 |
0.6106 | Remote Similarity | NPC147993 |
0.6102 | Remote Similarity | NPC155531 |
0.6102 | Remote Similarity | NPC131365 |
0.6102 | Remote Similarity | NPC215968 |
0.6098 | Remote Similarity | NPC474399 |
0.6098 | Remote Similarity | NPC469710 |
0.6092 | Remote Similarity | NPC108276 |
0.6092 | Remote Similarity | NPC163578 |
0.6091 | Remote Similarity | NPC153719 |
0.6091 | Remote Similarity | NPC470610 |
0.6083 | Remote Similarity | NPC323156 |
0.6083 | Remote Similarity | NPC82955 |
0.6083 | Remote Similarity | NPC20822 |
0.6066 | Remote Similarity | NPC122083 |
0.6066 | Remote Similarity | NPC149400 |
0.6066 | Remote Similarity | NPC476669 |
0.6066 | Remote Similarity | NPC182740 |
0.6066 | Remote Similarity | NPC144790 |
0.6066 | Remote Similarity | NPC211845 |
0.6066 | Remote Similarity | NPC256104 |
0.6066 | Remote Similarity | NPC88962 |
0.6057 | Remote Similarity | NPC281470 |
0.6057 | Remote Similarity | NPC172769 |
0.6057 | Remote Similarity | NPC124690 |
0.6057 | Remote Similarity | NPC166521 |
0.6057 | Remote Similarity | NPC205 |
0.6057 | Remote Similarity | NPC184195 |
0.605 | Remote Similarity | NPC140446 |
0.605 | Remote Similarity | NPC43912 |
0.6048 | Remote Similarity | NPC142264 |
0.6048 | Remote Similarity | NPC304011 |
0.6048 | Remote Similarity | NPC121453 |
0.6048 | Remote Similarity | NPC139271 |
0.6048 | Remote Similarity | NPC476510 |
0.6036 | Remote Similarity | NPC475458 |
0.6034 | Remote Similarity | NPC470611 |
0.6034 | Remote Similarity | NPC202688 |
0.6034 | Remote Similarity | NPC154043 |
0.6034 | Remote Similarity | NPC60018 |
0.6034 | Remote Similarity | NPC40539 |
0.6034 | Remote Similarity | NPC296734 |
0.6033 | Remote Similarity | NPC65550 |
0.6027 | Remote Similarity | NPC297058 |
0.6018 | Remote Similarity | NPC476233 |
0.6016 | Remote Similarity | NPC475436 |
0.6016 | Remote Similarity | NPC179859 |
0.6016 | Remote Similarity | NPC222731 |
0.6016 | Remote Similarity | NPC253268 |
0.6016 | Remote Similarity | NPC473851 |
0.6016 | Remote Similarity | NPC312678 |
0.6016 | Remote Similarity | NPC294686 |
0.6016 | Remote Similarity | NPC131693 |
0.6016 | Remote Similarity | NPC291547 |
0.6016 | Remote Similarity | NPC174024 |
0.6014 | Remote Similarity | NPC478139 |
0.6 | Remote Similarity | NPC187471 |
0.6 | Remote Similarity | NPC252182 |
0.6 | Remote Similarity | NPC470071 |
0.6 | Remote Similarity | NPC1340 |
0.6 | Remote Similarity | NPC274200 |
0.6 | Remote Similarity | NPC473436 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC96080 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 |
---|---|---|---|
0.719 | Intermediate Similarity | NPD7646 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD7991 | Discontinued |
0.6875 | Remote Similarity | NPD7754 | Approved |
0.6875 | Remote Similarity | NPD7755 | Approved |
0.6803 | Remote Similarity | NPD7987 | Approved |
0.6803 | Remote Similarity | NPD7986 | Approved |
0.6803 | Remote Similarity | NPD7912 | Approved |
0.6803 | Remote Similarity | NPD7911 | Approved |
0.672 | Remote Similarity | NPD8174 | Phase 2 |
0.6694 | Remote Similarity | NPD6920 | Discontinued |
0.6694 | Remote Similarity | NPD8040 | Discontinued |
0.664 | Remote Similarity | NPD7989 | Approved |
0.664 | Remote Similarity | NPD7990 | Approved |
0.6393 | Remote Similarity | NPD7920 | Phase 3 |
0.6393 | Remote Similarity | NPD7919 | Phase 3 |
0.6385 | Remote Similarity | NPD8077 | Approved |
0.6385 | Remote Similarity | NPD8078 | Approved |
0.6341 | Remote Similarity | NPD8088 | Phase 1 |
0.6328 | Remote Similarity | NPD6415 | Discontinued |
0.6241 | Remote Similarity | NPD6940 | Discontinued |
0.6154 | Remote Similarity | NPD394 | Phase 3 |
0.6115 | Remote Similarity | NPD591 | Approved |
0.6115 | Remote Similarity | NPD577 | Phase 3 |
0.6032 | Remote Similarity | NPD8418 | Phase 2 |
0.597 | Remote Similarity | NPD8298 | Phase 2 |
0.5966 | Remote Similarity | NPD8308 | Discontinued |
0.5935 | Remote Similarity | NPD8171 | Discontinued |
0.5931 | Remote Similarity | NPD8449 | Approved |
0.589 | Remote Similarity | NPD8450 | Suspended |
0.5862 | Remote Similarity | NPD6928 | Phase 2 |
0.5818 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.5659 | Remote Similarity | NPD4837 | Approved |
0.5659 | Remote Similarity | NPD4836 | Approved |
0.5659 | Remote Similarity | NPD4838 | Approved |
0.5659 | Remote Similarity | NPD4835 | Approved |
PubChem CID   | 99924 |
ChEMBL   | CHEMBL1975737 |
ZINC   |
Molecular Weight:   | 467.29 |
ALogP:   | -3.4454 |
MLogP:   | 3.33 |
XLogP:   | -0.217 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 100.85 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 3 |
# Rings:   | 6 |
# Heavy Atoms:   | 33 |