Details of the Drug

General Information of Drug (ID: DMUE90I)

Drug Name

AZD1656

Synonyms

AZD1656; AZD-1656; FJEJHJINOKKDCW-INIZCTEOSA-N; 3-{[5-(azetidin-1-ylcarbonyl)pyrazin-2-yl]oxy}-5-{[(1S)-1-methyl-2-(methyloxy)ethyl]oxy}-N-(5-methylpyrazin-2-yl)benzamide; SCHEMBL321593; GTPL7701; UNII-660M185X4D; CHEMBL3219124; AZD 1656; 660M185X4D; 89961-EP2305674A1; 89961-EP2301929A1; 89961-EP2301935A1; 3-{[5-(azetidin-1-ylcarbonyl)pyrazin-2-yl]oxy}-5-[(1S)-2-methoxy-1-methylethoxy]-N-(5-methylpyrazin-2-yl)benzamide

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Phase 2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

478.5

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C24H26N6O5
IUPAC Name: 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide
Canonical SMILES: CC1=CN=C(C=N1)NC(=O)C2=CC(=CC(=C2)O[C@@H](C)COC)OC3=NC=C(N=C3)C(=O)N4CCC4
InChI: InChI=1S/C24H26N6O5/c1-15-10-27-21(12-25-15)29-23(31)17-7-18(34-16(2)14-33-3)9-19(8-17)35-22-13-26-20(11-28-22)24(32)30-5-4-6-30/h7-13,16H,4-6,14H2,1-3H3,(H,27,29,31)/t16-/m0/s1
InChIKey: FJEJHJINOKKDCW-INIZCTEOSA-N

Cross-matching ID

PubChem CID: 16039797
CAS Number: 919783-22-5
UNII: 660M185X4D
DrugBank ID: DB14810
TTD ID: D0O8BS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucokinase (GCK)	TTDLNGZ	HXK4_HUMAN	Activator	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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. (Ligand id: 7701).
2	Clinical pipeline report, company report or official report of AstraZeneca (2009).