Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO683 | Rosa canina | Species | Rosaceae | Eukaryota | HerDing* | |||
NPO7273 | Brassica rutabaga | Species | Brassicaceae | Eukaryota | HerDing* | |||
NPO8182 | Momordica charantia | Species | Cucurbitaceae | Eukaryota | HerDing* | |||
NPO28919 | Calendula officinalis | Species | Asteraceae | Eukaryota | TCMID* | |||
NPO1141 | Citrus sp. | Species | Rutaceae | Eukaryota | TCMID* | |||
NPO18296 | Diospyros kaki | Species | Ebenaceae | Eukaryota | TCMID* | |||
NPO7273 | Brassica rutabaga | Species | Brassicaceae | Eukaryota | TCMID* | |||
NPO28197 | Huperzia selago | Species | Lycopodiaceae | Eukaryota | TCMID* | |||
NPO21080 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | TCMID* | |||
NPO8182 | Momordica charantia | Species | Cucurbitaceae | Eukaryota | TCMID* | |||
NPO14928 | Huperzia serrata | Species | Lycopodiaceae | Eukaryota | TCMID* | |||
NPO683 | Rosa canina | Species | Rosaceae | Eukaryota | TCMID* | |||
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO24671 | Lycopodium japonicum | Species | Lycopodiaceae | Eukaryota | TCMID* | |||
NPO14928 | Huperzia serrata | Species | Lycopodiaceae | Eukaryota | HerDing* | |||
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | HerDing* | |||
NPO18296 | Diospyros kaki | Species | Ebenaceae | Eukaryota | HerDing* | |||
NPO24671 | Lycopodium japonicum | Species | Lycopodiaceae | Eukaryota | HerDing* | |||
NPO28197 | Huperzia selago | Species | Lycopodiaceae | Eukaryota | HerDing* | |||
NPO28919 | Calendula officinalis | Species | Asteraceae | Eukaryota | HerDing* | |||
NPO31235 | Citrus sp | Species | Rutaceae | Eukaryota | HerDing* | |||
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | HerDing* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
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 | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | 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 | 100000 | 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 | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | 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 | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | 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 | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | 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 | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | 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 | |
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 | |
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 | |
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 | |
NPT458 | Cell Line | IGROV-1 | 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 | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 100000 | 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 NPC173592 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 | NPC99088 |
1.0 | High Similarity | NPC305759 |
0.9032 | High Similarity | NPC60288 |
0.871 | High Similarity | NPC138113 |
0.871 | High Similarity | NPC115959 |
0.871 | High Similarity | NPC123965 |
0.8387 | Intermediate Similarity | NPC288991 |
0.8387 | Intermediate Similarity | NPC64176 |
0.8387 | Intermediate Similarity | NPC138325 |
0.8387 | Intermediate Similarity | NPC262789 |
0.8182 | Intermediate Similarity | NPC471327 |
0.8125 | Intermediate Similarity | NPC34671 |
0.7838 | Intermediate Similarity | NPC266298 |
0.7778 | Intermediate Similarity | NPC282119 |
0.7647 | Intermediate Similarity | NPC151719 |
0.7647 | Intermediate Similarity | NPC66577 |
0.7647 | Intermediate Similarity | NPC206088 |
0.7368 | Intermediate Similarity | NPC45727 |
0.7368 | Intermediate Similarity | NPC48638 |
0.7297 | Intermediate Similarity | NPC92224 |
0.7143 | Intermediate Similarity | NPC3649 |
0.7143 | Intermediate Similarity | NPC100879 |
0.7143 | Intermediate Similarity | NPC138935 |
0.7027 | Intermediate Similarity | NPC182392 |
0.7 | Intermediate Similarity | NPC183670 |
0.6944 | Remote Similarity | NPC213749 |
0.6923 | Remote Similarity | NPC239039 |
0.6889 | Remote Similarity | NPC17810 |
0.6829 | Remote Similarity | NPC144023 |
0.6829 | Remote Similarity | NPC120926 |
0.6829 | Remote Similarity | NPC218918 |
0.6765 | Remote Similarity | NPC179103 |
0.6765 | Remote Similarity | NPC76765 |
0.6667 | Remote Similarity | NPC177470 |
0.6667 | Remote Similarity | NPC213538 |
0.6667 | Remote Similarity | NPC196831 |
0.6667 | Remote Similarity | NPC256766 |
0.65 | Remote Similarity | NPC180840 |
0.6486 | Remote Similarity | NPC13217 |
0.6452 | Remote Similarity | NPC96619 |
0.6429 | Remote Similarity | NPC269823 |
0.6364 | Remote Similarity | NPC88325 |
0.6316 | Remote Similarity | NPC62779 |
0.625 | Remote Similarity | NPC185839 |
0.625 | Remote Similarity | NPC190810 |
0.625 | Remote Similarity | NPC34764 |
0.625 | Remote Similarity | NPC76145 |
0.625 | Remote Similarity | NPC201753 |
0.6176 | Remote Similarity | NPC287191 |
0.6176 | Remote Similarity | NPC31891 |
0.6176 | Remote Similarity | NPC266539 |
0.6176 | Remote Similarity | NPC266144 |
0.6136 | Remote Similarity | NPC116934 |
0.6129 | Remote Similarity | NPC178306 |
0.6122 | Remote Similarity | NPC208638 |
0.6098 | Remote Similarity | NPC297643 |
0.6098 | Remote Similarity | NPC139717 |
0.6098 | Remote Similarity | NPC229262 |
0.6087 | Remote Similarity | NPC323445 |
0.6047 | Remote Similarity | NPC469969 |
0.6 | Remote Similarity | NPC38497 |
0.6 | Remote Similarity | NPC10183 |
0.5957 | Remote Similarity | NPC124851 |
0.5952 | Remote Similarity | NPC29091 |
0.5952 | Remote Similarity | NPC182840 |
0.5952 | Remote Similarity | NPC255042 |
0.5952 | Remote Similarity | NPC103213 |
0.5909 | Remote Similarity | NPC209279 |
0.5909 | Remote Similarity | NPC194586 |
0.5909 | Remote Similarity | NPC88079 |
0.5909 | Remote Similarity | NPC108494 |
0.5909 | Remote Similarity | NPC51758 |
0.5909 | Remote Similarity | NPC180871 |
0.5909 | Remote Similarity | NPC68889 |
0.5909 | Remote Similarity | NPC67761 |
0.5909 | Remote Similarity | NPC208936 |
0.5909 | Remote Similarity | NPC206906 |
0.5882 | Remote Similarity | NPC38513 |
0.587 | Remote Similarity | NPC160628 |
0.587 | Remote Similarity | NPC276825 |
0.587 | Remote Similarity | NPC49088 |
0.587 | Remote Similarity | NPC140501 |
0.5814 | Remote Similarity | NPC323278 |
0.5814 | Remote Similarity | NPC12319 |
0.5814 | Remote Similarity | NPC18205 |
0.5814 | Remote Similarity | NPC56917 |
0.5806 | Remote Similarity | NPC225855 |
0.5778 | Remote Similarity | NPC216921 |
0.5769 | Remote Similarity | NPC470893 |
0.5745 | Remote Similarity | NPC308331 |
0.5745 | Remote Similarity | NPC159420 |
0.5745 | Remote Similarity | NPC180575 |
0.5714 | Remote Similarity | NPC34873 |
0.5714 | Remote Similarity | NPC92863 |
0.5714 | Remote Similarity | NPC40434 |
0.5714 | Remote Similarity | NPC474460 |
0.5714 | Remote Similarity | NPC155880 |
0.5686 | Remote Similarity | NPC476679 |
0.5682 | Remote Similarity | NPC188596 |
0.5652 | Remote Similarity | NPC477686 |
0.5652 | Remote Similarity | NPC473533 |
0.5625 | Remote Similarity | NPC318549 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC173592 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 |
---|---|---|---|
0.6889 | Remote Similarity | NPD8262 | Approved |
0.675 | Remote Similarity | NPD5783 | Phase 3 |
0.625 | Remote Similarity | NPD319 | Phase 1 |
0.617 | Remote Similarity | NPD4220 | Pre-registration |
0.6061 | Remote Similarity | NPD8834 | Discontinued |
0.587 | Remote Similarity | NPD4265 | Approved |
0.5814 | Remote Similarity | NPD1153 | Clinical (unspecified phase) |
PubChem CID   | 54603520 |
ChEMBL   | CHEMBL1984187 |
ZINC   |
Molecular Weight:   | 536.44 |
ALogP:   | 11.5726 |
MLogP:   | 5.86 |
XLogP:   | 14.586 |
# Rotatable Bonds:   | 26 |
Polar Surface Area:   | 0 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 40 |