Details of the Drug

General Information of Drug (ID: DMLRS8I)

Drug Name

1-[3-(3-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol

Synonyms

CHEMBL212743; SCHEMBL14506371; 1-[3-(3-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol

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): 0

Molecular Weight (mw)

313.4

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H15N3O
IUPAC Name: 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NN=CN3C4=CC(=CC=C4)O
InChI: InChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H
InChIKey: XGXZTGGFJHBJDN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17
Opioid receptor delta (OPRD1)	DTT	OPRD1	5.52E-01	0.03	0.23

Molecular Expression Atlas (MEA)

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References

1	Discovery of novel triazole-based opioid receptor antagonists. J Med Chem. 2006 Jul 13;49(14):4044-7.