Details of the Drug

General Information of Drug (ID: DMEGSZD)

Drug Name

7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine

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)

199.21

Logarithm of the Partition Coefficient (xlogp)

0.3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H9N5
IUPAC Name: 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
Canonical SMILES: C1=C2C(=C(N=C(N2)N)N)C3=CC=NC3=C1
InChI: InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4H,11H2,(H3,12,14,15)
InChIKey: TYJMBWNFQVCGFT-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	High-affinity inhibitors of dihydrofolate reductase: antimicrobial and anticancer activities of 7,8-dialkyl-1,3-diaminopyrrolo[3,2-f]quinazolines w... J Med Chem. 1996 Feb 16;39(4):892-903.