Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO28276 | Artemisia argyi | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO10492 | Artemisia montana | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO25094 | Artemisia princeps | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO4391 | Hypericum perforatum | Species | Hypericaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 5494.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 48966.2 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 76958.8 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 24541.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61130.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21872.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 30895.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 19493.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 34665.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54482.7 | 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 NPC41007 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 | NPC168714 |
1.0 | High Similarity | NPC35371 |
1.0 | High Similarity | NPC178643 |
0.9333 | High Similarity | NPC21374 |
0.9 | High Similarity | NPC127696 |
0.8824 | High Similarity | NPC14608 |
0.8667 | High Similarity | NPC281943 |
0.8667 | High Similarity | NPC317739 |
0.8438 | Intermediate Similarity | NPC12904 |
0.8333 | Intermediate Similarity | NPC143211 |
0.8235 | Intermediate Similarity | NPC155872 |
0.8182 | Intermediate Similarity | NPC286695 |
0.8 | Intermediate Similarity | NPC201132 |
0.8 | Intermediate Similarity | NPC166804 |
0.8 | Intermediate Similarity | NPC211250 |
0.7941 | Intermediate Similarity | NPC154396 |
0.7838 | Intermediate Similarity | NPC81263 |
0.7667 | Intermediate Similarity | NPC41485 |
0.7667 | Intermediate Similarity | NPC28246 |
0.7667 | Intermediate Similarity | NPC3693 |
0.7667 | Intermediate Similarity | NPC32280 |
0.7647 | Intermediate Similarity | NPC322892 |
0.7647 | Intermediate Similarity | NPC108238 |
0.7568 | Intermediate Similarity | NPC316546 |
0.75 | Intermediate Similarity | NPC80396 |
0.75 | Intermediate Similarity | NPC154642 |
0.75 | Intermediate Similarity | NPC80641 |
0.7353 | Intermediate Similarity | NPC40965 |
0.7333 | Intermediate Similarity | NPC110107 |
0.7273 | Intermediate Similarity | NPC122768 |
0.7273 | Intermediate Similarity | NPC61066 |
0.7273 | Intermediate Similarity | NPC151140 |
0.7273 | Intermediate Similarity | NPC104195 |
0.725 | Intermediate Similarity | NPC325102 |
0.7222 | Intermediate Similarity | NPC316685 |
0.7188 | Intermediate Similarity | NPC248233 |
0.7143 | Intermediate Similarity | NPC308301 |
0.7 | Intermediate Similarity | NPC203105 |
0.7 | Intermediate Similarity | NPC23508 |
0.7 | Intermediate Similarity | NPC8187 |
0.6977 | Remote Similarity | NPC249754 |
0.697 | Remote Similarity | NPC234005 |
0.6944 | Remote Similarity | NPC286498 |
0.6944 | Remote Similarity | NPC140229 |
0.6923 | Remote Similarity | NPC80234 |
0.6875 | Remote Similarity | NPC127134 |
0.6857 | Remote Similarity | NPC280532 |
0.6765 | Remote Similarity | NPC180423 |
0.6757 | Remote Similarity | NPC196442 |
0.6757 | Remote Similarity | NPC86545 |
0.6757 | Remote Similarity | NPC301398 |
0.6757 | Remote Similarity | NPC223374 |
0.675 | Remote Similarity | NPC149299 |
0.675 | Remote Similarity | NPC250028 |
0.675 | Remote Similarity | NPC256163 |
0.675 | Remote Similarity | NPC40597 |
0.6744 | Remote Similarity | NPC282440 |
0.6667 | Remote Similarity | NPC99700 |
0.6667 | Remote Similarity | NPC217218 |
0.6585 | Remote Similarity | NPC53541 |
0.6579 | Remote Similarity | NPC321699 |
0.6571 | Remote Similarity | NPC302611 |
0.6571 | Remote Similarity | NPC5934 |
0.6571 | Remote Similarity | NPC265882 |
0.6562 | Remote Similarity | NPC304927 |
0.6562 | Remote Similarity | NPC289974 |
0.6522 | Remote Similarity | NPC305182 |
0.65 | Remote Similarity | NPC316217 |
0.65 | Remote Similarity | NPC3531 |
0.65 | Remote Similarity | NPC223249 |
0.65 | Remote Similarity | NPC222792 |
0.6486 | Remote Similarity | NPC307027 |
0.6486 | Remote Similarity | NPC57499 |
0.6471 | Remote Similarity | NPC88135 |
0.6429 | Remote Similarity | NPC187922 |
0.6429 | Remote Similarity | NPC203531 |
0.6429 | Remote Similarity | NPC236579 |
0.641 | Remote Similarity | NPC128996 |
0.6389 | Remote Similarity | NPC281883 |
0.6383 | Remote Similarity | NPC314084 |
0.6364 | Remote Similarity | NPC230726 |
0.6364 | Remote Similarity | NPC149209 |
0.6341 | Remote Similarity | NPC165533 |
0.6333 | Remote Similarity | NPC61373 |
0.6316 | Remote Similarity | NPC289344 |
0.625 | Remote Similarity | NPC8368 |
0.625 | Remote Similarity | NPC305660 |
0.625 | Remote Similarity | NPC22903 |
0.625 | Remote Similarity | NPC54980 |
0.625 | Remote Similarity | NPC201622 |
0.625 | Remote Similarity | NPC170167 |
0.619 | Remote Similarity | NPC325452 |
0.619 | Remote Similarity | NPC248763 |
0.6176 | Remote Similarity | NPC283626 |
0.6136 | Remote Similarity | NPC287231 |
0.6136 | Remote Similarity | NPC47363 |
0.6136 | Remote Similarity | NPC312547 |
0.6111 | Remote Similarity | NPC198126 |
0.6098 | Remote Similarity | NPC31551 |
0.6098 | Remote Similarity | NPC94368 |
0.6098 | Remote Similarity | NPC219536 |
0.6042 | Remote Similarity | NPC244452 |
0.6 | Remote Similarity | NPC252843 |
0.6 | Remote Similarity | NPC55956 |
0.6 | Remote Similarity | NPC37493 |
0.6 | Remote Similarity | NPC172042 |
0.6 | Remote Similarity | NPC287782 |
0.6 | Remote Similarity | NPC63182 |
0.6 | Remote Similarity | NPC105329 |
0.6 | Remote Similarity | NPC145045 |
0.6 | Remote Similarity | NPC133771 |
0.6 | Remote Similarity | NPC52700 |
0.5957 | Remote Similarity | NPC135698 |
0.5952 | Remote Similarity | NPC28598 |
0.5952 | Remote Similarity | NPC12156 |
0.5952 | Remote Similarity | NPC161097 |
0.5952 | Remote Similarity | NPC123357 |
0.5946 | Remote Similarity | NPC228727 |
0.5938 | Remote Similarity | NPC208021 |
0.5938 | Remote Similarity | NPC133819 |
0.5909 | Remote Similarity | NPC319680 |
0.5909 | Remote Similarity | NPC317128 |
0.5897 | Remote Similarity | NPC191084 |
0.5897 | Remote Similarity | NPC218357 |
0.5897 | Remote Similarity | NPC250870 |
0.5897 | Remote Similarity | NPC168052 |
0.5882 | Remote Similarity | NPC314668 |
0.587 | Remote Similarity | NPC326957 |
0.5854 | Remote Similarity | NPC325454 |
0.5854 | Remote Similarity | NPC38930 |
0.5833 | Remote Similarity | NPC232172 |
0.5833 | Remote Similarity | NPC312003 |
0.5833 | Remote Similarity | NPC142103 |
0.5833 | Remote Similarity | NPC174368 |
0.5833 | Remote Similarity | NPC289388 |
0.5814 | Remote Similarity | NPC159773 |
0.5789 | Remote Similarity | NPC147054 |
0.5778 | Remote Similarity | NPC55023 |
0.5778 | Remote Similarity | NPC273545 |
0.5769 | Remote Similarity | NPC252860 |
0.575 | Remote Similarity | NPC5505 |
0.575 | Remote Similarity | NPC65353 |
0.575 | Remote Similarity | NPC103612 |
0.575 | Remote Similarity | NPC24967 |
0.5745 | Remote Similarity | NPC68577 |
0.5714 | Remote Similarity | NPC274261 |
0.5714 | Remote Similarity | NPC291724 |
0.5714 | Remote Similarity | NPC225963 |
0.5714 | Remote Similarity | NPC474205 |
0.5682 | Remote Similarity | NPC176500 |
0.5676 | Remote Similarity | NPC321646 |
0.5667 | Remote Similarity | NPC137050 |
0.5652 | Remote Similarity | NPC12438 |
0.5652 | Remote Similarity | NPC30195 |
0.5652 | Remote Similarity | NPC314679 |
0.5641 | Remote Similarity | NPC63354 |
0.5625 | Remote Similarity | NPC250919 |
0.5625 | Remote Similarity | NPC83723 |
0.5625 | Remote Similarity | NPC223675 |
0.5625 | Remote Similarity | NPC26253 |
0.5625 | Remote Similarity | NPC163345 |
0.5625 | Remote Similarity | NPC37479 |
0.561 | Remote Similarity | NPC69245 |
0.561 | Remote Similarity | NPC158179 |
0.561 | Remote Similarity | NPC206924 |
0.56 | Remote Similarity | NPC216407 |
0.56 | Remote Similarity | NPC151919 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC41007 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 |
---|---|---|---|
0.7941 | Intermediate Similarity | NPD900 | Approved |
0.7188 | Intermediate Similarity | NPD8990 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD8989 | Approved |
0.6757 | Remote Similarity | NPD9447 | Approved |
0.6667 | Remote Similarity | NPD8616 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8615 | Phase 2 |
0.6571 | Remote Similarity | NPD8856 | Phase 2 |
0.65 | Remote Similarity | NPD77 | Approved |
0.65 | Remote Similarity | NPD9450 | Approved |
0.6444 | Remote Similarity | NPD2266 | Phase 2 |
0.641 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6389 | Remote Similarity | NPD9636 | Phase 2 |
0.6136 | Remote Similarity | NPD6097 | Approved |
0.6136 | Remote Similarity | NPD377 | Approved |
0.6136 | Remote Similarity | NPD6096 | Approved |
0.6136 | Remote Similarity | NPD2699 | Approved |
0.6111 | Remote Similarity | NPD8618 | Approved |
0.5952 | Remote Similarity | NPD9635 | Discontinued |
0.587 | Remote Similarity | NPD1458 | Approved |
0.587 | Remote Similarity | NPD1459 | Approved |
0.5833 | Remote Similarity | NPD9191 | Approved |
0.5833 | Remote Similarity | NPD8619 | Approved |
0.5833 | Remote Similarity | NPD8617 | Approved |
0.5745 | Remote Similarity | NPD5343 | Approved |
0.5745 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD106 | Approved |
0.5714 | Remote Similarity | NPD6927 | Phase 3 |
0.5682 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD8200 | Phase 2 |
0.566 | Remote Similarity | NPD4279 | Approved |
0.5652 | Remote Similarity | NPD9378 | Approved |
0.5652 | Remote Similarity | NPD634 | Phase 3 |
0.561 | Remote Similarity | NPD9131 | Discovery |
PubChem CID   | 62445 |
ChEMBL   | CHEMBL3182254 |
ZINC   |
Molecular Weight:   | 172.15 |
ALogP:   | 0.4249 |
MLogP:   | 2.34 |
XLogP:   | 3.218 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 12 |