Details of the Drug

General Information of Drug (ID: DMLJN8Z)

Drug Name

6-Phenylhexylcarbamic Acid Biphenyl-3-yl Ester

Synonyms

CHEMBL486493; 6-Phenylhexylcarbamic 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)

373.5

Logarithm of the Partition Coefficient (xlogp)

6.9

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C25H27NO2
IUPAC Name: (3-phenylphenyl) N-(6-phenylhexyl)carbamate
Canonical SMILES: C1=CC=C(C=C1)CCCCCCNC(=O)OC2=CC=CC(=C2)C3=CC=CC=C3
InChI: InChI=1S/C25H27NO2/c27-25(26-19-10-2-1-5-12-21-13-6-3-7-14-21)28-24-18-11-17-23(20-24)22-15-8-4-9-16-22/h3-4,6-9,11,13-18,20H,1-2,5,10,12,19H2,(H,26,27)
InChIKey: MGXPWHVQDGCMAC-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.