Details of the Drug

General Information of Drug (ID: DMS9I6A)

Drug Name

AZD7687

Synonyms

AZD7687; 1166827-44-6; CHEMBL2178944; CHEMBL2178953; AZD-7687; AZD 7687; UNII-6QTJ9P2NYT; 6QTJ9P2NYT; SCHEMBL2252415; SCHEMBL5532381; SCHEMBL2252417; GTPL7827; SCHEMBL2255196; DTXSID60655297; YXFNPRHZMOGREC-SHTZXODSSA-N; 3466AH; ZINC43206395; BDBM50399684; BDBM50399710; AZD 7687;AZD-7687; ZINC101581684; AKOS030526281; CS-1026; NCGC00378858-01; HY-15497; KB-144428; W-5990; {4-[4-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]cyclohexyl}acetic acid; {trans-4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]cyclohexyl}acetic acid

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Phase 1	[1]
Obesity	5B81	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

367.4

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H25N3O3
IUPAC Name: 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]cyclohexyl]acetic acid
Canonical SMILES: CC1=C(N=C(C(=N1)C)C(=O)N)C2=CC=C(C=C2)C3CCC(CC3)CC(=O)O
InChI: InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)
InChIKey: YXFNPRHZMOGREC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 42636350
CAS Number: 1166827-44-6
TTD ID: D0EY0A

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Diacylglycerol acyltransferase 1 (DGAT1)	TTF8P9I	DGAT1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Diacylglycerol acyltransferase 1 (DGAT1)	DTT	DGAT1	3.51E-01	-0.41	-0.62

Molecular Expression Atlas (MEA)

MEA Detail

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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: 7827).
2	Clinical pipeline report, company report or official report of AstraZeneca (2011).