Details of the Drug

General Information of Drug (ID: DMT1PM4)

Drug Name

4-[(diphenylmethyl)amino]-2-phenylquinazoline

Synonyms

4-[(Diphenylmethyl)amino]-2-phenylquinazoline; CHEMBL305876; Benzhydryl-(2-phenyl-quinazolin-4-yl)-amine; SCHEMBL18388787; BDBM50116317

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)

387.5

Logarithm of the Partition Coefficient (xlogp)

7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C27H21N3
IUPAC Name: N-benzhydryl-2-phenylquinazolin-4-amine
Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H21N3/c1-4-12-20(13-5-1)25(21-14-6-2-7-15-21)29-27-23-18-10-11-19-24(23)28-26(30-27)22-16-8-3-9-17-22/h1-19,25H,(H,28,29,30)
InChIKey: LJIQXEUCYVPWRY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin II receptor type-1 (AGTR1)	TT8DBY3	AGTR1_HUMAN	Antagonist	[1]
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	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
Angiotensin II receptor type-1 (AGTR1)	DTT	AGTR1	8.95E-01	1.34E-02	0.07

Molecular Expression Atlas (MEA)

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References

1	Identification of a novel partial inhibitor of dopamine transporter among 4-substituted 2-phenylquinazolines. Bioorg Med Chem Lett. 2002 Aug 19;12(16):2225-8.