Details of the Drug

General Information of Drug (ID: DMQCYEK)

Drug Name

5-(2-fluorobenzyloxy)quinazoline-2,4-diamine

Synonyms

CHEMBL251427; 5-(2-fluorobenzyloxy)quinazoline-2,4-diamine; SCHEMBL1154761

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)

284.29

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C15H13FN4O
IUPAC Name: 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine
Canonical SMILES: C1=CC=C(C(=C1)COC2=CC=CC3=C2C(=NC(=N3)N)N)F
InChI: InChI=1S/C15H13FN4O/c16-10-5-2-1-4-9(10)8-21-12-7-3-6-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
InChIKey: SFJOSBAEWKPKPY-UHFFFAOYSA-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	Synthesis and biological evaluation of novel 2,4-diaminoquinazoline derivatives as SMN2 promoter activators for the potential treatment of spinal m... J Med Chem. 2008 Feb 14;51(3):449-69.