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]

• Drug Type: Small molecular drug
• #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
  ChEBI ID: CHEMBL4297354
  CAS Number: 1166827-44-6
  UNII: 6QTJ9P2NYT
  DrugBank ID: DB14949
  TTD ID: D0EY0A
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug Pharmacogenomic Perturbation (DPP)NEW: Click to Jump to the Detailed DPP Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

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]

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

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).