Details of the Drug

General Information of Drug (ID: DMIENSW)

• Drug Name: GKA-23
• Synonyms: GKA-21; GKA-22; GKA-30; GKA-31; GKA-50; GKA-60; Glucokinase activators (diabetes); Glucokinase activators (diabetes), AstraZeneca

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Investigative	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 468.6
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C21H20N6O3S2
  IUPAC Name: (1S)-1-[5-[[3-(2,6-dimethylpyridin-3-yl)oxy-5-pyridin-2-ylsulfanylpyridin-2-yl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol
  Canonical SMILES: CC1=NC(=C(C=C1)OC2=C(N=CC(=C2)SC3=CC=CC=N3)NC4=NC(=NS4)[C@@H](CO)O)C
  InChI: InChI=1S/C21H20N6O3S2/c1-12-6-7-16(13(2)24-12)30-17-9-14(31-18-5-3-4-8-22-18)10-23-20(17)26-21-25-19(27-32-21)15(29)11-28/h3-10,15,28-29H,11H2,1-2H3,(H,23,25,26,27)/t15-/m1/s1
  InChIKey: NARRNXGFBLOLIN-OAHLLOKOSA-N
• Cross-matching ID:
  PubChem CID: 25235270
  TTD ID: D04MLE

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 Expression Atlas of This Drug

• The Studied Disease: Diabetic complication
• ICD Disease Classification: 5A2Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glucokinase (GCK)	DTT	GCK	2.72E-01	0.76	0.52

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2798).