General
Preferred name
PD002801
Synonyms
4-amino-1,8-Naphthalimide ()
4-Aminonaphthalimide ()
6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE ()
P&D ID
PD002801
CAS
1742-95-6
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Poly(ADP-ribose) Polymerase (PARP) inhibitor (LOPAC library)
DESCRIPTION The poly(ADP-ribose) polymerases (PARPs) form a family of enzymes with roles in DNA repair and apoptosis, particularly in response to reactive oxygen and nitrogen species. 4-Amino-1,8-naphthalimide (4-ANI) is an inhibitor of PARP (IC50 = 180 nM). (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
1
Compound Sets
8
BOC Sciences Bioactive Compounds
6-amino-benzo-de-isoquinoline-1-3-dione-cas-1742-95-6-item-170139
Cayman Chemical Bioactives
18509
DrugBank
DB07096
DrugMAP
DMU49H6
DrugMatrix
LOPAC library
MedChem Express Bioactive Compound Library
HY-15276
TargetMol Bioactive Compound Library
T21524
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
212.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
1.31
TPSA
72.19
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Selectivity
PARP
Pathway
Chromatin/Epigenetic
DNA Damage/DNA Repair
Cell Cycle/DNA Damage
Epigenetics
Source data