Drug Information

Drug ID:  NPD413
Drug Name:  Pemirolast Potassium
Molecular Formula:  C10H7N6O.K
Canonical SMILES:  Cc1cccn2c1ncc(c2=O)C1=NN=[N-]=N1.[K+]
Standard InCHI:  InChI=1S/C10H7N6O.K/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8;/h2-5H,1H3;/q-1;+1
Standard InCHIKey:  NMMVKSMGBDRONO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD413

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 0.5714 NPC201332

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
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Drug Properties

Molecular Weight  266.03
ALogP  
MLogP  1.68
XLogP  
HDA  7
HBD  0
Rotatable Bonds  2
TPSA  69.75
RO5 Violation  0