Details of the Drug

General Information of Drug (ID: DM95JEW)

Drug Name

N-Octylcarbamic Acid Biphenyl-3-yl Ester

Synonyms

CHEMBL487317; n-Octylcarbamic Acid Biphenyl-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)

325.4

Logarithm of the Partition Coefficient (xlogp)

6.5

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H27NO2
IUPAC Name: (3-phenylphenyl) N-octylcarbamate
Canonical SMILES: CCCCCCCCNC(=O)OC1=CC=CC(=C1)C2=CC=CC=C2
InChI: InChI=1S/C21H27NO2/c1-2-3-4-5-6-10-16-22-21(23)24-20-15-11-14-19(17-20)18-12-8-7-9-13-18/h7-9,11-15,17H,2-6,10,16H2,1H3,(H,22,23)
InChIKey: ZVIQRVAPSQCQGM-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.