Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO23080 | Benincasae exocarpium | NA | NA | NA | TCMSP* | |||
NPO29614 | Polygonati odorati rhizoma | NA | NA | NA | TCMSP* | |||
NPO12916 | Radix et rhizoma rhodiolae | Species | Lymnaeidae | Eukaryota | TCMID* | |||
NPO7591 | Cedrus deodara | Species | Pinaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Inhibition | < | 8 | % | 19278021 |
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 NPC159398 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 |
---|---|---|
0.8667 | High Similarity | NPC147054 |
0.8462 | Intermediate Similarity | NPC8368 |
0.8077 | Intermediate Similarity | NPC208021 |
0.7742 | Intermediate Similarity | NPC40965 |
0.7586 | Intermediate Similarity | NPC248233 |
0.75 | Intermediate Similarity | NPC35155 |
0.75 | Intermediate Similarity | NPC322892 |
0.7273 | Intermediate Similarity | NPC154396 |
0.7273 | Intermediate Similarity | NPC286498 |
0.7059 | Intermediate Similarity | NPC86545 |
0.7059 | Intermediate Similarity | NPC223374 |
0.7059 | Intermediate Similarity | NPC196442 |
0.7059 | Intermediate Similarity | NPC155872 |
0.7059 | Intermediate Similarity | NPC301398 |
0.6923 | Remote Similarity | NPC173862 |
0.6897 | Remote Similarity | NPC3693 |
0.6857 | Remote Similarity | NPC80396 |
0.6857 | Remote Similarity | NPC154642 |
0.6857 | Remote Similarity | NPC80641 |
0.6765 | Remote Similarity | NPC57499 |
0.6667 | Remote Similarity | NPC14608 |
0.6667 | Remote Similarity | NPC12904 |
0.6667 | Remote Similarity | NPC474048 |
0.6667 | Remote Similarity | NPC166804 |
0.6667 | Remote Similarity | NPC128996 |
0.6571 | Remote Similarity | NPC289344 |
0.6552 | Remote Similarity | NPC110107 |
0.6486 | Remote Similarity | NPC316546 |
0.6471 | Remote Similarity | NPC286695 |
0.6452 | Remote Similarity | NPC143211 |
0.6333 | Remote Similarity | NPC41485 |
0.6333 | Remote Similarity | NPC32280 |
0.6333 | Remote Similarity | NPC213764 |
0.6333 | Remote Similarity | NPC28246 |
0.6333 | Remote Similarity | NPC275462 |
0.6316 | Remote Similarity | NPC94368 |
0.6316 | Remote Similarity | NPC81263 |
0.6316 | Remote Similarity | NPC80234 |
0.625 | Remote Similarity | NPC317739 |
0.625 | Remote Similarity | NPC281943 |
0.6207 | Remote Similarity | NPC23508 |
0.6207 | Remote Similarity | NPC2419 |
0.6207 | Remote Similarity | NPC8187 |
0.6154 | Remote Similarity | NPC250028 |
0.6154 | Remote Similarity | NPC256163 |
0.6154 | Remote Similarity | NPC149299 |
0.6154 | Remote Similarity | NPC40597 |
0.6129 | Remote Similarity | NPC201132 |
0.6129 | Remote Similarity | NPC127134 |
0.6111 | Remote Similarity | NPC317203 |
0.6053 | Remote Similarity | NPC305660 |
0.6053 | Remote Similarity | NPC22903 |
0.6053 | Remote Similarity | NPC201622 |
0.6053 | Remote Similarity | NPC54980 |
0.6 | Remote Similarity | NPC99700 |
0.6 | Remote Similarity | NPC53541 |
0.6 | Remote Similarity | NPC175342 |
0.5946 | Remote Similarity | NPC321699 |
0.5897 | Remote Similarity | NPC219536 |
0.5897 | Remote Similarity | NPC31551 |
0.5897 | Remote Similarity | NPC223249 |
0.5882 | Remote Similarity | NPC21374 |
0.5862 | Remote Similarity | NPC308490 |
0.5854 | Remote Similarity | NPC176500 |
0.5854 | Remote Similarity | NPC236579 |
0.5854 | Remote Similarity | NPC203531 |
0.5789 | Remote Similarity | NPC74352 |
0.5778 | Remote Similarity | NPC234597 |
0.5758 | Remote Similarity | NPC88135 |
0.5758 | Remote Similarity | NPC279895 |
0.575 | Remote Similarity | NPC28598 |
0.575 | Remote Similarity | NPC161097 |
0.575 | Remote Similarity | NPC165533 |
0.5714 | Remote Similarity | NPC272426 |
0.5676 | Remote Similarity | NPC156630 |
0.5667 | Remote Similarity | NPC52403 |
0.5667 | Remote Similarity | NPC203105 |
0.5667 | Remote Similarity | NPC30787 |
0.5625 | Remote Similarity | NPC560 |
0.5625 | Remote Similarity | NPC59581 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC159398 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 |
---|---|---|---|
0.6857 | Remote Similarity | NPD370 | Phase 3 |
0.6129 | Remote Similarity | NPD8989 | Approved |
0.5806 | Remote Similarity | NPD8797 | Approved |
0.5714 | Remote Similarity | NPD1461 | Approved |
0.5714 | Remote Similarity | NPD907 | Approved |
0.5714 | Remote Similarity | NPD908 | Approved |
PubChem CID   | 61177 |
ChEMBL   | CHEMBL2270391 |
ZINC   |
Molecular Weight:   | 130.10 |
ALogP:   | -1.2491 |
MLogP:   | 2.01 |
XLogP:   | 2.493 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 9 |