Details of the Drug

General Information of Drug (ID: DMG5SAQ)

• Drug Name: 2-chloro-1-(5-(pyridin-2-yl)oxazol-2-yl)ethanone
• Synonyms: 2-chloro-1-(5-(pyridin-2-yl)oxazol-2-yl)ethanone; 945414-11-9; alpha-ketooxazole, 14f; SCHEMBL710273; CHEMBL229323; BDBM23135; MKVLXIACPLGLLP-UHFFFAOYSA-N; ZINC14980143; DA-40252; FT-0713758

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 222.63
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H7ClN2O2
  IUPAC Name: 2-chloro-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)ethanone
  Canonical SMILES: C1=CC=NC(=C1)C2=CN=C(O2)C(=O)CCl
  InChI: InChI=1S/C10H7ClN2O2/c11-5-8(14)10-13-6-9(15-10)7-3-1-2-4-12-7/h1-4,6H,5H2
  InChIKey: MKVLXIACPLGLLP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16735859
  TTD ID: D03YUT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	Inhibitor	[1]

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
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

References

• [1] Structure-activity relationships of alpha-ketooxazole inhibitors of fatty acid amide hydrolase. J Med Chem. 2007 Jul 12;50(14):3359-68.