Details of the Drug

General Information of Drug (ID: DM9P62Y)

Drug Name
GKA1
Synonyms
CHEMBL381434; GKA1; SCHEMBL1794696; RTMFZNZPHCZAFG-UHFFFAOYSA-N; ZINC28523790; BDBM50165037; 6-(3-Isobutoxy-5-isopropoxy-benzoylamino)-nicotinic acid; 6-[(3-isobutoxy-5-isopropoxybenzoyl)amino]-3-pyridinecarboxylic acid; 6-[(3-isobutoxy-5-isopropoxvbenzoyl)amino]-3-pyridinecarboxylic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 372.4
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H24N2O5
IUPAC Name
6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
Canonical SMILES
CC(C)COC1=CC(=CC(=C1)C(=O)NC2=NC=C(C=C2)C(=O)O)OC(C)C
InChI
InChI=1S/C20H24N2O5/c1-12(2)11-26-16-7-15(8-17(9-16)27-13(3)4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23)
InChIKey
RTMFZNZPHCZAFG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10044792
TTD ID
D0P0PP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucokinase (GCK) TTDLNGZ HXK4_HUMAN Activator [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 Stimulation of hepatocyte glucose metabolism by novel small molecule glucokinase activators. Diabetes. 2004 Mar;53(3):535-41.