Details of the Drug

General Information of Drug (ID: DMEPJRD)

Drug Name

1-(4-methoxyoxazol-2-yl)-7-phenylheptan-1-one

Synonyms

CHEMBL526161; 1-(4-methoxyoxazol-2-yl)-7-phenylheptan-1-one; SCHEMBL2163269

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)

287.35

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H21NO3
IUPAC Name: 1-(4-methoxy-1,3-oxazol-2-yl)-7-phenylheptan-1-one
Canonical SMILES: COC1=COC(=N1)C(=O)CCCCCCC2=CC=CC=C2
InChI: InChI=1S/C17H21NO3/c1-20-16-13-21-17(18-16)15(19)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: PLTPISAOEFIJFK-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]

------------------------------------------------------------------------------------

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.