Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO3430 | Sophorae flavescentis radix | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT150 | Individual Protein | Anthrax lethal factor | Bacillus anthracis | Potency | = | 12589.3 | 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 NPC63284 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 |
---|---|---|
0.9857 | High Similarity | NPC320667 |
0.9857 | High Similarity | NPC214125 |
0.9444 | High Similarity | NPC244256 |
0.9444 | High Similarity | NPC86452 |
0.9189 | High Similarity | NPC132858 |
0.9189 | High Similarity | NPC77890 |
0.9189 | High Similarity | NPC267203 |
0.8846 | High Similarity | NPC234822 |
0.8846 | High Similarity | NPC78058 |
0.8846 | High Similarity | NPC61321 |
0.8846 | High Similarity | NPC135639 |
0.8846 | High Similarity | NPC143344 |
0.8205 | Intermediate Similarity | NPC127430 |
0.8205 | Intermediate Similarity | NPC120699 |
0.7722 | Intermediate Similarity | NPC308050 |
0.7711 | Intermediate Similarity | NPC207048 |
0.7361 | Intermediate Similarity | NPC42477 |
0.7284 | Intermediate Similarity | NPC25513 |
0.7111 | Intermediate Similarity | NPC145707 |
0.7108 | Intermediate Similarity | NPC268580 |
0.7067 | Intermediate Similarity | NPC206660 |
0.6737 | Remote Similarity | NPC91036 |
0.6622 | Remote Similarity | NPC385 |
0.6579 | Remote Similarity | NPC477461 |
0.6579 | Remote Similarity | NPC477459 |
0.6533 | Remote Similarity | NPC133923 |
0.6531 | Remote Similarity | NPC144714 |
0.6531 | Remote Similarity | NPC100810 |
0.6395 | Remote Similarity | NPC28529 |
0.6364 | Remote Similarity | NPC252684 |
0.6292 | Remote Similarity | NPC255430 |
0.6275 | Remote Similarity | NPC472856 |
0.6235 | Remote Similarity | NPC34672 |
0.6203 | Remote Similarity | NPC476559 |
0.6173 | Remote Similarity | NPC477460 |
0.6173 | Remote Similarity | NPC76869 |
0.6132 | Remote Similarity | NPC143173 |
0.6129 | Remote Similarity | NPC17497 |
0.6129 | Remote Similarity | NPC305602 |
0.6026 | Remote Similarity | NPC470738 |
0.5974 | Remote Similarity | NPC231129 |
0.5897 | Remote Similarity | NPC82919 |
0.5889 | Remote Similarity | NPC209232 |
0.5851 | Remote Similarity | NPC157479 |
0.5806 | Remote Similarity | NPC57163 |
0.5806 | Remote Similarity | NPC116881 |
0.5773 | Remote Similarity | NPC473056 |
0.5745 | Remote Similarity | NPC147513 |
0.5714 | Remote Similarity | NPC96272 |
0.5714 | Remote Similarity | NPC476560 |
0.5684 | Remote Similarity | NPC476141 |
0.5682 | Remote Similarity | NPC281154 |
0.5667 | Remote Similarity | NPC473446 |
0.5667 | Remote Similarity | NPC473695 |
0.5604 | Remote Similarity | NPC472194 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC63284 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 |
---|---|---|---|
0.9189 | High Similarity | NPD529 | Approved |
0.6875 | Remote Similarity | NPD815 | Approved |
0.6875 | Remote Similarity | NPD816 | Approved |
0.619 | Remote Similarity | NPD4063 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD836 | Clinical (unspecified phase) |
0.5619 | Remote Similarity | NPD2905 | Discontinued |
PubChem CID   | 92795 |
ChEMBL   | CHEMBL1397610 |
ZINC   |
Molecular Weight:   | 244.16 |
ALogP:   | -0.3234 |
MLogP:   | 2.78 |
XLogP:   | 0.972 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 23.55 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 0 |
# Rings:   | 3 |
# Heavy Atoms:   | 18 |