Details of the Drug

General Information of Drug (ID: DM1X5JR)

Drug Name

Pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione

Synonyms

CHEMBL370869; pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione; SCHEMBL5381581

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)

236.22

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H8N2O2
IUPAC Name: 6H-pyrrolo[3,4-c]carbazole-1,3-dione
Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC4=C3C(=O)NC4=O
InChI: InChI=1S/C14H8N2O2/c17-13-8-5-6-10-11(12(8)14(18)16-13)7-3-1-2-4-9(7)15-10/h1-6,15H,(H,16,17,18)
InChIKey: AGFYXNWRDSDSRA-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	Synthesis and structure-activity relationships of novel poly(ADP-ribose) polymerase-1 inhibitors. Bioorg Med Chem Lett. 2006 Feb 15;16(4):938-42.