Drug Information

Drug ID:  NPD350
Drug Name:  Pramipexole Dihydrochloride
Molecular Formula:  C10H17N3S.ClH
Canonical SMILES:  CCCN[C@H]1CCc2c(C1)sc(=N)[nH]2.Cl
Standard InCHI:  InChI=1S/C10H17N3S.ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h7,12H,2-6H2,1H3,(H2,11,13);1H/t7-;/m0./s1
Standard InCHIKey:  YLOYRMPMRZXEMW-FJXQXJEOSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD350

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
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

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
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PubChem CID  
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Drug Properties

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