Details of the Drug

General Information of Drug (ID: DMS1T0V)

Drug Name

2-Cyclohexylacetic acidbiphenyl-3-yl ester

Synonyms

CHEMBL505895; 2-Cyclohexylacetic acidbiphenyl-3-yl ester

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): 1

Molecular Weight (mw)

294.4

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H22O2
IUPAC Name: (3-phenylphenyl) 2-cyclohexylacetate
Canonical SMILES: C1CCC(CC1)CC(=O)OC2=CC=CC(=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H22O2/c21-20(14-16-8-3-1-4-9-16)22-19-13-7-12-18(15-19)17-10-5-2-6-11-17/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2
InChIKey: VBMZBWIWRKLCHP-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	Synthesis and quantitative structure-activity relationship of fatty acid amide hydrolase inhibitors: modulation at the N-portion of biphenyl-3-yl a... J Med Chem. 2008 Jun 26;51(12):3487-98.