Details of the Drug

General Information of Drug (ID: DM5L40C)

Drug Name
8-Nitro-6H,11H-indeno[1,2-c]isoquinolin-5-one
Synonyms
SCHEMBL4661629; CHEMBL370673; BDBM27510; SWBDUXDIPMGDNO-UHFFFAOYSA-N; indeno[1,2-c]isoquinolinone, 1b; ZINC13652894; 5,6-dihydro-5-oxo-8-nitro-indeno[1,2-c]isoquinoline; 8-Nitro-5,6-dihydro-11H-indeno[1,2-c]isoquinoline-5-one
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) 278.26
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H10N2O3
IUPAC Name
8-nitro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
Canonical SMILES
C1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C1C4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C16H10N2O3/c19-16-12-4-2-1-3-11(12)14-7-9-5-6-10(18(20)21)8-13(9)15(14)17-16/h1-6,8H,7H2,(H,17,19)
InChIKey
SWBDUXDIPMGDNO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25190929
ChEBI ID
CHEMBL370673
TTD ID
D0E0QT
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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 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
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References

1 Discovery of potent poly(ADP-ribose) polymerase-1 inhibitors from the modification of indeno[1,2-c]isoquinolinone. J Med Chem. 2005 Aug 11;48(16):5100-3.