Details of the Drug

General Information of Drug (ID: DM9BE2S)

Drug Name

2-(7-phenylheptanoyl)oxazole-4-carboxylic acid

Synonyms

CHEMBL460317; 2-(7-phenylheptanoyl)oxazole-4-carboxylic acid; SCHEMBL2162839; UJGLCAJZAMDFHN-UHFFFAOYSA-N

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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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-4-carboxylic acid
Canonical SMILES: C1=CC=C(C=C1)CCCCCCC(=O)C2=NC(=CO2)C(=O)O
InChI: InChI=1S/C17H19NO4/c19-15(16-18-14(12-22-16)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: UJGLCAJZAMDFHN-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

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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)

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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.