Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[20300169] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[21389975] |
||
NPO26237 | Piper longum | Species | Piperaceae | Eukaryota | TCM_Taiwan* | |||
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | TCM_Taiwan* | |||
NPO29545 | Capsici fructus | NA | NA | NA | TCMSP* | |||
NPO9454 | Piperis fructus | NA | NA | NA | TCMSP* | |||
NPO29556 | Piperis longi fructus | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT300 | Individual Protein | Thromboxane-A synthase | Homo sapiens | Inhibition | = | 15.8 | % | 7199089 |
NPT413 | Protein Complex | Neuronal acetylcholine receptor | Rattus norvegicus | Kd | = | 120 | nM | 4032427 |
NPT413 | Protein Complex | Neuronal acetylcholine receptor | Rattus norvegicus | Kd | = | 69000 | nM | 4032427 |
NPT413 | Protein Complex | Neuronal acetylcholine receptor | Rattus norvegicus | Inhibition | = | 58 | % | 4032427 |
NPT1006 | Individual Protein | Proton-coupled amino acid transporter 1 | Homo sapiens | Ki | = | 54000000 | nM | 21955456 |
NPT2 | Others | Unspecified | Potency | 63853.6 | nM | PubChem BioAssay data set | ||
NPT314 | Organism | Bacillus cereus | Bacillus cereus | IZ | = | 13 | mm | 25305333 |
NPT19 | Organism | Escherichia coli | Escherichia coli | IZ | = | 11 | mm | 25305333 |
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 NPC21157 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 |
---|---|---|
0.8485 | Intermediate Similarity | NPC203203 |
0.7812 | Intermediate Similarity | NPC320889 |
0.7778 | Intermediate Similarity | NPC167301 |
0.7419 | Intermediate Similarity | NPC232311 |
0.7419 | Intermediate Similarity | NPC152949 |
0.7419 | Intermediate Similarity | NPC270175 |
0.7419 | Intermediate Similarity | NPC193536 |
0.7097 | Intermediate Similarity | NPC27675 |
0.697 | Remote Similarity | NPC95589 |
0.6944 | Remote Similarity | NPC74599 |
0.6897 | Remote Similarity | NPC119368 |
0.6897 | Remote Similarity | NPC306277 |
0.6667 | Remote Similarity | NPC125872 |
0.6579 | Remote Similarity | NPC326791 |
0.6579 | Remote Similarity | NPC473035 |
0.6562 | Remote Similarity | NPC8576 |
0.6216 | Remote Similarity | NPC292154 |
0.6207 | Remote Similarity | NPC27869 |
0.6207 | Remote Similarity | NPC309330 |
0.6207 | Remote Similarity | NPC28081 |
0.6154 | Remote Similarity | NPC270319 |
0.6098 | Remote Similarity | NPC15231 |
0.5882 | Remote Similarity | NPC313882 |
0.5789 | Remote Similarity | NPC163099 |
0.5625 | Remote Similarity | NPC83032 |
0.561 | Remote Similarity | NPC471440 |
0.561 | Remote Similarity | NPC471575 |
0.561 | Remote Similarity | NPC240230 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC21157 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 |
---|---|---|---|
0.7419 | Intermediate Similarity | NPD8544 | Approved |
0.697 | Remote Similarity | NPD401 | Approved |
0.6579 | Remote Similarity | NPD2707 | Clinical (unspecified phase) |
0.6562 | Remote Similarity | NPD9012 | Phase 2 |
0.6562 | Remote Similarity | NPD9013 | Clinical (unspecified phase) |
0.6286 | Remote Similarity | NPD1156 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD8791 | Clinical (unspecified phase) |
0.6207 | Remote Similarity | NPD8560 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD2276 | Clinical (unspecified phase) |
0.6098 | Remote Similarity | NPD9227 | Discontinued |
0.6061 | Remote Similarity | NPD9063 | Approved |
0.6061 | Remote Similarity | NPD9064 | Approved |
0.6 | Remote Similarity | NPD9041 | Approved |
0.6 | Remote Similarity | NPD9039 | Approved |
0.6 | Remote Similarity | NPD9040 | Clinical (unspecified phase) |
0.5952 | Remote Similarity | NPD390 | Approved |
0.5952 | Remote Similarity | NPD718 | Approved |
0.5882 | Remote Similarity | NPD9465 | Approved |
0.5833 | Remote Similarity | NPD3722 | Approved |
0.5833 | Remote Similarity | NPD3721 | Approved |
0.5682 | Remote Similarity | NPD9241 | Approved |
PubChem CID   | 8082 |
ChEMBL   | CHEMBL15487 |
ZINC   |
Molecular Weight:   | 85.09 |
ALogP:   | -1.2612 |
MLogP:   | 1.9 |
XLogP:   | 0.688 |
# Rotatable Bonds:   | 0 |
Polar Surface Area:   | 12.03 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 6 |