Drug Information

Drug ID:  NPD9015
Drug Name:  imeglimin
Molecular Formula:  C6H13N5
Canonical SMILES:  N=C1N[C@@H](C)N=C(N1)N(C)C
Standard InCHI:  InChI=1S/C6H13N5/c1-4-8-5(7)10-6(9-4)11(2)3/h4H,1-3H3,(H3,7,8,9,10)/t4-/m1/s1
Standard InCHIKey:  GFICWFZTBXUVIG-SCSAIBSYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9015

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

Drug Structure

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External Identifiers

TTD   DIB006278
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  155.12
ALogP  -0.3049
MLogP  1.57
XLogP  1.655
HDA  5
HBD  3
Rotatable Bonds  4
TPSA  63.51
RO5 Violation  0