Details of the Drug

General Information of Drug (ID: DMOE39X)

Drug Name
Piragliatin
Synonyms GK2; R1440; RO4389620
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Therapeutic Class
Endocrine, nutritional and metabolic diseases
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 421.9
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H20ClN3O4S
IUPAC Name
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-pyrazin-2-ylpropanamide
Canonical SMILES
CS(=O)(=O)C1=C(C=C(C=C1)[C@@H](C[C@H]2CCC(=O)C2)C(=O)NC3=NC=CN=C3)Cl
InChI
InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1
InChIKey
XEANIURBPHCHMG-SWLSCSKDSA-N
Cross-matching ID
PubChem CID
10432339
CAS Number
625114-41-2
TTD ID
D04QGH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucokinase (GCK) TTDLNGZ HXK4_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glucokinase (GCK) DTT GCK 2.72E-01 0.76 0.52
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Piragliatin (RO4389620), a novel glucokinase activator, lowers plasma glucose both in the postabsorptive state and after a glucose challenge in patients with type 2 diabetes mellitus: a mechanistic study.J Clin Endocrinol Metab.2010 Nov;95(11):5028-36.