Details of the Drug

General Information of Drug (ID: DMYCKGH)

Drug Name

Biphenyl-3-ylcarbamic Acid Biphenyl-3-yl Ester

Synonyms

CHEMBL451443; Biphenyl-3-ylcarbamic Acid Biphenyl-3-yl Ester; URB602, 3j

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)

365.4

Logarithm of the Partition Coefficient (xlogp)

6.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C25H19NO2
IUPAC Name: (3-phenylphenyl) N-(3-phenylphenyl)carbamate
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)OC3=CC=CC(=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H19NO2/c27-25(26-23-15-7-13-21(17-23)19-9-3-1-4-10-19)28-24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-18H,(H,26,27)
InChIKey: GJGNAZXEUGJLTC-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.