Drug Information| Drug ID: | NPD351 |
| Drug Name: | Pramipexole |
| Molecular Formula: | C10H17N3S |
| Canonical SMILES: | CCCN[C@H]1CCc2c(C1)sc(=N)[nH]2 |
| Standard InCHI: | InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1 |
| Standard InCHIKey: | FASDKYOPVNHBLU-ZETCQYMHSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD351Similarity 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 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.5814 | NPC57599 |
| TTD | DAP000019 |
| DrugBank | DB00413 |
| ChEMBL | CHEMBL301265 |
| IUPHAR/BPS | 953 |
| PharmaGKB | PA164742949 |
| KEGG Drug | D00559 |
| PubChem CID | 119570 |
| ChEBI | 8356 |
| CAS Number | 104632-26-0 |
| Molecular Weight | 211.11 |
| ALogP | -0.2661 |
| MLogP | 2.12 |
| XLogP | 1.571 |
| HDA | 3 |
| HBD | 3 |
| Rotatable Bonds | 4 |
| TPSA | 73.21 |
| RO5 Violation | 0 |