Details of the Drug

General Information of Drug (ID: DML2UCP)

Drug Name

3-aminobenzo[c][1,5]naphthyridin-6(5H)-one

Synonyms

CHEMBL106154; 3-aminobenzo[c][1,5]naphthyridin-6(5H)-one; Benzo[c]-1,5-naphthyridin-6(5H)-one, 3-amino-; SCHEMBL12750402; BDBM50130580; 433726-73-9

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)

211.22

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H9N3O
IUPAC Name: 3-amino-5H-benzo[c][1,5]naphthyridin-6-one
Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=N3)N)NC2=O
InChI: InChI=1S/C12H9N3O/c13-7-5-10-11(14-6-7)8-3-1-2-4-9(8)12(16)15-10/h1-6H,13H2,(H,15,16)
InChIKey: PSWYPUADRXNJGE-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_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
Poly [ADP-ribose] polymerase 1 (PARP1)	DTT	PARP1	5.01E-05	1.02	2.68

Molecular Expression Atlas (MEA)

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References

1	Design, synthesis, and cytoprotective effect of 2-aminothiazole analogues as potent poly(ADP-ribose) polymerase-1 inhibitors. J Med Chem. 2009 Feb 12;52(3):718-25.