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]
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
PubChem CID
18382004
TTD ID
D0R7HU

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.