Details of the Drug

General Information of Drug (ID: DMVJ6WS)

Drug Name
Melogliptin
Indication
Disease Entry ICD 11 Status REF
Type-2 diabetes 5A11 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 320.37
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H21FN6O
IUPAC Name
(2S,4S)-4-fluoro-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
Canonical SMILES
C1C[C@H](C[C@H]1CN2C=NC=N2)NCC(=O)N3C[C@H](C[C@H]3C#N)F
InChI
InChI=1S/C15H21FN6O/c16-12-4-14(5-17)22(8-12)15(23)6-19-13-2-1-11(3-13)7-21-10-18-9-20-21/h9-14,19H,1-4,6-8H2/t11-,12-,13+,14-/m0/s1
InChIKey
JSYGLDMGERSRPC-FQUUOJAGSA-N
Cross-matching ID
PubChem CID
11623906
CAS Number
868771-57-7
TTD ID
D06VMJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dipeptidyl peptidase 4 (DPP-4) TTDIGC1 DPP4_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Type-2 diabetes
ICD Disease Classification 5A11
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dipeptidyl peptidase 4 (DPP-4) DTT DPP4 9.54E-01 -0.27 -1.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800021640)
2 Emerging drug candidates of dipeptidyl peptidase IV (DPP IV) inhibitor class for the treatment of Type 2 Diabetes. Curr Drug Targets. 2009 Jan;10(1):71-87.