Details of the Drug

General Information of Drug (ID: DMP06I3)

Drug Name

Methyl 2-(7-phenylheptanoyl)oxazole-4-carboxylate

Synonyms

CHEMBL461539; methyl 2-(7-phenylheptanoyl)oxazole-4-carboxylate; SCHEMBL2164164; CRHSFDPXTRFSMK-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)

315.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C18H21NO4
IUPAC Name: methyl 2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxylate
Canonical SMILES: COC(=O)C1=COC(=N1)C(=O)CCCCCCC2=CC=CC=C2
InChI: InChI=1S/C18H21NO4/c1-22-18(21)15-13-23-17(19-15)16(20)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11,13H,2-3,5,8-9,12H2,1H3
InChIKey: CRHSFDPXTRFSMK-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.