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

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.725 NPC163099
Remote Similarity 0.6977 NPC233570
Remote Similarity 0.6744 NPC270319
Remote Similarity 0.6591 NPC240230
Remote Similarity 0.6486 NPC230775
Remote Similarity 0.6275 NPC230087
Remote Similarity 0.6222 NPC323113
Remote Similarity 0.617 NPC253366
Remote Similarity 0.617 NPC97568
Remote Similarity 0.6122 NPC188989
Remote Similarity 0.6078 NPC32934
Remote Similarity 0.6042 NPC250284
Remote Similarity 0.6 NPC182969
Remote Similarity 0.6 NPC314598

Drug Structure

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