Details of the Drug

General Information of Drug (ID: DMB53ML)

Drug Name
2-(7-phenylheptanoyl)oxazole-5-carboxylic acid
Synonyms CHEMBL220729; 2-(7-phenylheptanoyl)oxazole-5-carboxylic acid; SCHEMBL1471352; 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxylic Acid; YYZORCCDLMGZTQ-UHFFFAOYSA-N
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 301.34
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H19NO4
IUPAC Name
2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxylic acid
Canonical SMILES
C1=CC=C(C=C1)CCCCCCC(=O)C2=NC=C(O2)C(=O)O
InChI
InChI=1S/C17H19NO4/c19-14(16-18-12-15(22-16)17(20)21)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2,(H,20,21)
InChIKey
YYZORCCDLMGZTQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11991892
TTD ID
D0C9FO

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Exploration of a fundamental substituent effect of alpha-ketoheterocycle enzyme inhibitors: Potent and selective inhibitors of fatty acid amide hyd... Bioorg Med Chem Lett. 2008 Nov 15;18(22):5842-6.