Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva | DOI[10.1007/s11306-012-0464-y] | ||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO4011 | Chlamydomonas reinhardtii | Species | Chlamydomonadaceae | Eukaryota |
PMID[25515814] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT995 | Protein Complex | GABA B receptor | Rattus norvegicus | IC50 | > | 100000 | nM | 10.1016/S0960-894X(01)81218-X |
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 NPC292422 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 |
---|---|---|
0.7188 | Intermediate Similarity | NPC258912 |
0.6667 | Remote Similarity | NPC286989 |
0.6562 | Remote Similarity | NPC262962 |
0.6111 | Remote Similarity | NPC141902 |
0.6053 | Remote Similarity | NPC328729 |
0.5946 | Remote Similarity | NPC84444 |
0.5946 | Remote Similarity | NPC145217 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC292422 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 |
---|---|---|---|
0.7222 | Intermediate Similarity | NPD8177 | Approved |
0.7222 | Intermediate Similarity | NPD8178 | Approved |
0.6667 | Remote Similarity | NPD8563 | Approved |
0.6667 | Remote Similarity | NPD8561 | Approved |
0.6667 | Remote Similarity | NPD8562 | Approved |
0.6389 | Remote Similarity | NPD8232 | Phase 2 |
0.6364 | Remote Similarity | NPD9461 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD8559 | Clinical (unspecified phase) |
0.6053 | Remote Similarity | NPD8556 | Phase 3 |
0.6 | Remote Similarity | NPD8812 | Phase 3 |
0.6 | Remote Similarity | NPD8813 | Phase 3 |
0.5909 | Remote Similarity | NPD9062 | Phase 2 |
0.5897 | Remote Similarity | NPD8553 | Phase 3 |
0.5686 | Remote Similarity | NPD9223 | Phase 2 |
0.5625 | Remote Similarity | NPD9220 | Approved |
0.5625 | Remote Similarity | NPD9222 | Approved |
PubChem CID   | 1015;5232324 |
ChEMBL   | CHEMBL146972 |
ZINC   |
Molecular Weight:   | 141.02 |
ALogP:   | -1.1228 |
MLogP:   | 1.02 |
XLogP:   | -2.504 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 102.59 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 8 |