Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO32641 | trichoderma aureoviride | Species | Hypocreaceae | Eukaryota |
PMID[9917301] |
|||
NPO30281 | Myrothecium | Genus | Stachybotryaceae | Eukaryota |
PMID[15802853] |
|||
NPO5589 | Trichoderma koningii | Species | Hypocreaceae | Eukaryota | DOI[10.1016/0038-0717(88)90050-8] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT141 | Organism | Agrobacterium tumefaciens | Agrobacterium tumefaciens | Activity | = | -35.5 | % | 10.1021/np50107a012 |
NPT119 | Organism | Triticum aestivum | Triticum aestivum | GI | = | 100 | % | 9917301 |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 44157.04 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 57942.87 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 21872.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 21872.4 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 19331.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 27535.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 8707.6 | 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 NPC86948 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 |
---|---|---|
0.8621 | High Similarity | NPC429928 |
0.8182 | Intermediate Similarity | NPC191643 |
0.8136 | Intermediate Similarity | NPC159650 |
0.8136 | Intermediate Similarity | NPC22897 |
0.8136 | Intermediate Similarity | NPC133600 |
0.807 | Intermediate Similarity | NPC173157 |
0.7963 | Intermediate Similarity | NPC234084 |
0.7937 | Intermediate Similarity | NPC315115 |
0.7931 | Intermediate Similarity | NPC150717 |
0.7778 | Intermediate Similarity | NPC471556 |
0.7778 | Intermediate Similarity | NPC471566 |
0.7778 | Intermediate Similarity | NPC471565 |
0.7705 | Intermediate Similarity | NPC26223 |
0.7692 | Intermediate Similarity | NPC313444 |
0.7627 | Intermediate Similarity | NPC221763 |
0.7619 | Intermediate Similarity | NPC477457 |
0.7619 | Intermediate Similarity | NPC477456 |
0.7586 | Intermediate Similarity | NPC218486 |
0.7581 | Intermediate Similarity | NPC15193 |
0.7538 | Intermediate Similarity | NPC132286 |
0.75 | Intermediate Similarity | NPC275316 |
0.75 | Intermediate Similarity | NPC220766 |
0.7463 | Intermediate Similarity | NPC316029 |
0.7463 | Intermediate Similarity | NPC315285 |
0.7463 | Intermediate Similarity | NPC315597 |
0.7455 | Intermediate Similarity | NPC128520 |
0.7424 | Intermediate Similarity | NPC238223 |
0.7419 | Intermediate Similarity | NPC309408 |
0.7385 | Intermediate Similarity | NPC191233 |
0.7344 | Intermediate Similarity | NPC148233 |
0.7344 | Intermediate Similarity | NPC308457 |
0.7344 | Intermediate Similarity | NPC25747 |
0.7313 | Intermediate Similarity | NPC470693 |
0.7231 | Intermediate Similarity | NPC182794 |
0.7231 | Intermediate Similarity | NPC96414 |
0.7188 | Intermediate Similarity | NPC2328 |
0.7167 | Intermediate Similarity | NPC25038 |
0.7167 | Intermediate Similarity | NPC478117 |
0.7164 | Intermediate Similarity | NPC477117 |
0.7164 | Intermediate Similarity | NPC475760 |
0.7143 | Intermediate Similarity | NPC90490 |
0.7121 | Intermediate Similarity | NPC201356 |
0.7121 | Intermediate Similarity | NPC124586 |
0.7121 | Intermediate Similarity | NPC469446 |
0.7121 | Intermediate Similarity | NPC146811 |
0.7101 | Intermediate Similarity | NPC133098 |
0.7097 | Intermediate Similarity | NPC189700 |
0.7059 | Intermediate Similarity | NPC232812 |
0.7049 | Intermediate Similarity | NPC472808 |
0.7049 | Intermediate Similarity | NPC324224 |
0.7049 | Intermediate Similarity | NPC245002 |
0.7031 | Intermediate Similarity | NPC26810 |
0.7018 | Intermediate Similarity | NPC82446 |
0.7 | Intermediate Similarity | NPC478120 |
0.6957 | Remote Similarity | NPC37929 |
0.6957 | Remote Similarity | NPC476037 |
0.6957 | Remote Similarity | NPC64234 |
0.6957 | Remote Similarity | NPC476012 |
0.6949 | Remote Similarity | NPC106531 |
0.6923 | Remote Similarity | NPC179087 |
0.6923 | Remote Similarity | NPC44343 |
0.6923 | Remote Similarity | NPC210303 |
0.6923 | Remote Similarity | NPC132243 |
0.6923 | Remote Similarity | NPC473737 |
0.6912 | Remote Similarity | NPC63873 |
0.6912 | Remote Similarity | NPC474823 |
0.6912 | Remote Similarity | NPC287705 |
0.6897 | Remote Similarity | NPC236338 |
0.6885 | Remote Similarity | NPC474913 |
0.6875 | Remote Similarity | NPC299730 |
0.6875 | Remote Similarity | NPC130953 |
0.6875 | Remote Similarity | NPC79756 |
0.6866 | Remote Similarity | NPC37382 |
0.6857 | Remote Similarity | NPC475762 |
0.6852 | Remote Similarity | NPC57923 |
0.6849 | Remote Similarity | NPC315394 |
0.6849 | Remote Similarity | NPC473825 |
0.6849 | Remote Similarity | NPC316324 |
0.6825 | Remote Similarity | NPC474084 |
0.6818 | Remote Similarity | NPC173409 |
0.6818 | Remote Similarity | NPC53136 |
0.6812 | Remote Similarity | NPC473277 |
0.6812 | Remote Similarity | NPC151481 |
0.6812 | Remote Similarity | NPC475004 |
0.6786 | Remote Similarity | NPC270706 |
0.6769 | Remote Similarity | NPC68044 |
0.6769 | Remote Similarity | NPC217537 |
0.6765 | Remote Similarity | NPC21998 |
0.6761 | Remote Similarity | NPC185186 |
0.6761 | Remote Similarity | NPC329914 |
0.6761 | Remote Similarity | NPC329890 |
0.6761 | Remote Similarity | NPC327383 |
0.6724 | Remote Similarity | NPC126184 |
0.6724 | Remote Similarity | NPC15912 |
0.6721 | Remote Similarity | NPC151761 |
0.6721 | Remote Similarity | NPC322461 |
0.6721 | Remote Similarity | NPC269615 |
0.6721 | Remote Similarity | NPC159535 |
0.6719 | Remote Similarity | NPC222852 |
0.6719 | Remote Similarity | NPC97570 |
0.6719 | Remote Similarity | NPC474267 |
0.6719 | Remote Similarity | NPC302564 |
0.6716 | Remote Similarity | NPC19769 |
0.6716 | Remote Similarity | NPC470688 |
0.6716 | Remote Similarity | NPC476589 |
0.6714 | Remote Similarity | NPC59558 |
0.6667 | Remote Similarity | NPC474774 |
0.6667 | Remote Similarity | NPC218477 |
0.6667 | Remote Similarity | NPC128280 |
0.6667 | Remote Similarity | NPC217940 |
0.6667 | Remote Similarity | NPC470686 |
0.6667 | Remote Similarity | NPC155849 |
0.6622 | Remote Similarity | NPC54996 |
0.6622 | Remote Similarity | NPC68156 |
0.662 | Remote Similarity | NPC316185 |
0.662 | Remote Similarity | NPC293114 |
0.662 | Remote Similarity | NPC181587 |
0.6618 | Remote Similarity | NPC248125 |
0.6618 | Remote Similarity | NPC276299 |
0.6618 | Remote Similarity | NPC470033 |
0.6615 | Remote Similarity | NPC98519 |
0.661 | Remote Similarity | NPC27264 |
0.661 | Remote Similarity | NPC15789 |
0.6575 | Remote Similarity | NPC329826 |
0.6575 | Remote Similarity | NPC260396 |
0.6575 | Remote Similarity | NPC327041 |
0.6575 | Remote Similarity | NPC285840 |
0.6575 | Remote Similarity | NPC469414 |
0.6571 | Remote Similarity | NPC265574 |
0.6567 | Remote Similarity | NPC475618 |
0.6528 | Remote Similarity | NPC287878 |
0.6528 | Remote Similarity | NPC284006 |
0.6522 | Remote Similarity | NPC225272 |
0.6522 | Remote Similarity | NPC203335 |
0.6522 | Remote Similarity | NPC122627 |
0.6515 | Remote Similarity | NPC151648 |
0.6508 | Remote Similarity | NPC51846 |
0.6508 | Remote Similarity | NPC325977 |
0.65 | Remote Similarity | NPC148056 |
0.6491 | Remote Similarity | NPC47946 |
0.6491 | Remote Similarity | NPC26600 |
0.6486 | Remote Similarity | NPC188860 |
0.6471 | Remote Similarity | NPC131174 |
0.6471 | Remote Similarity | NPC133904 |
0.6462 | Remote Similarity | NPC478095 |
0.6462 | Remote Similarity | NPC286189 |
0.6462 | Remote Similarity | NPC329550 |
0.6447 | Remote Similarity | NPC271632 |
0.6441 | Remote Similarity | NPC207815 |
0.6441 | Remote Similarity | NPC135698 |
0.6438 | Remote Similarity | NPC107654 |
0.6438 | Remote Similarity | NPC315843 |
0.6429 | Remote Similarity | NPC79220 |
0.6429 | Remote Similarity | NPC280374 |
0.6406 | Remote Similarity | NPC223804 |
0.6406 | Remote Similarity | NPC129150 |
0.6406 | Remote Similarity | NPC474825 |
0.6406 | Remote Similarity | NPC44542 |
0.6406 | Remote Similarity | NPC294938 |
0.64 | Remote Similarity | NPC471225 |
0.64 | Remote Similarity | NPC233071 |
0.64 | Remote Similarity | NPC475711 |
0.64 | Remote Similarity | NPC474026 |
0.6393 | Remote Similarity | NPC151919 |
0.6379 | Remote Similarity | NPC197467 |
0.6377 | Remote Similarity | NPC116013 |
0.6377 | Remote Similarity | NPC284447 |
0.6364 | Remote Similarity | NPC251042 |
0.6364 | Remote Similarity | NPC229252 |
0.6364 | Remote Similarity | NPC174447 |
0.6364 | Remote Similarity | NPC122521 |
0.6364 | Remote Similarity | NPC221250 |
0.6364 | Remote Similarity | NPC143857 |
0.6364 | Remote Similarity | NPC19241 |
0.6351 | Remote Similarity | NPC478194 |
0.6351 | Remote Similarity | NPC478191 |
0.6351 | Remote Similarity | NPC478193 |
0.6351 | Remote Similarity | NPC478195 |
0.6351 | Remote Similarity | NPC478196 |
0.6351 | Remote Similarity | NPC478192 |
0.6338 | Remote Similarity | NPC475982 |
0.6333 | Remote Similarity | NPC221467 |
0.6324 | Remote Similarity | NPC470808 |
0.6324 | Remote Similarity | NPC114464 |
0.6316 | Remote Similarity | NPC182292 |
0.6316 | Remote Similarity | NPC248775 |
0.6308 | Remote Similarity | NPC478096 |
0.6308 | Remote Similarity | NPC223679 |
0.6308 | Remote Similarity | NPC469373 |
0.6308 | Remote Similarity | NPC254095 |
0.6301 | Remote Similarity | NPC474705 |
0.6296 | Remote Similarity | NPC291712 |
0.6286 | Remote Similarity | NPC470442 |
0.6286 | Remote Similarity | NPC472266 |
0.6269 | Remote Similarity | NPC40082 |
0.6267 | Remote Similarity | NPC261732 |
0.625 | Remote Similarity | NPC469660 |
0.625 | Remote Similarity | NPC202011 |
0.6234 | Remote Similarity | NPC470149 |
0.6234 | Remote Similarity | NPC1180 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC86948 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 |
---|---|---|---|
0.6471 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6441 | Remote Similarity | NPD4220 | Pre-registration |
0.623 | Remote Similarity | NPD6927 | Phase 3 |
0.6207 | Remote Similarity | NPD3174 | Discontinued |
0.6184 | Remote Similarity | NPD4756 | Discovery |
0.6119 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5343 | Approved |
0.6 | Remote Similarity | NPD5209 | Approved |
0.5926 | Remote Similarity | NPD9115 | Approved |
0.5921 | Remote Similarity | NPD8039 | Approved |
0.5902 | Remote Similarity | NPD3173 | Approved |
0.5833 | Remote Similarity | NPD1282 | Approved |
0.5797 | Remote Similarity | NPD4193 | Approved |
0.5797 | Remote Similarity | NPD4194 | Approved |
0.5797 | Remote Similarity | NPD4192 | Approved |
0.5797 | Remote Similarity | NPD4191 | Approved |
0.5763 | Remote Similarity | NPD6097 | Approved |
0.5763 | Remote Similarity | NPD6096 | Approved |
0.5714 | Remote Similarity | NPD29 | Approved |
0.5714 | Remote Similarity | NPD28 | Approved |
0.5694 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.569 | Remote Similarity | NPD9297 | Discontinued |
0.569 | Remote Similarity | NPD9091 | Suspended |
0.5667 | Remote Similarity | NPD4222 | Approved |
0.5667 | Remote Similarity | NPD39 | Approved |
0.5616 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
PubChem CID   | 33960 |
ChEMBL   | CHEMBL503899 |
ZINC   |
Molecular Weight:   | 166.10 |
ALogP:   | -0.2661 |
MLogP:   | 2.34 |
XLogP:   | 2.614 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 12 |