Details of the Drug

General Information of Drug (ID: DMH0QA7)

Drug Name

5-((E)-Styryl)-quinazoline-2,4-diamine

Synonyms

CHEMBL164845; 5-((E)-Styryl)-quinazoline-2,4-diamine; AC1O6QWN; ZINC5974460; BDBM50036484

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)

262.31

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H14N4
IUPAC Name: 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine
Canonical SMILES: C1=CC=C(C=C1)/C=C/C2=C3C(=CC=C2)N=C(N=C3N)N
InChI: InChI=1S/C16H14N4/c17-15-14-12(10-9-11-5-2-1-3-6-11)7-4-8-13(14)19-16(18)20-15/h1-10H,(H4,17,18,19,20)/b10-9+
InChIKey: YPIDSPOROIRHIL-MDZDMXLPSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polypeptide deformylase (PDF)	TT9SL3Q	DEFM_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
Polypeptide deformylase (PDF)	DTT	PDF	8.87E-16	-0.54	-0.86

Molecular Expression Atlas (MEA)

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References

1	2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dih... J Med Chem. 1995 Mar 3;38(5):745-52.