General Information of the Compound
Compound ID
CP0094301
Compound Name
10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
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Synonyms
1742-95-6
1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-
4-AMINO-1,8 NAPHTHALIMIDE
4-Amino-1,8-naphthalimide
4-Aminonaphthalene-1,8-dicarboximide
4-Aminonaphthalimide
4-amino-1,8-naphthalimide
6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE
6-Amino-1H-benz(de)isoquinoline-1,3(2H)-dione
6-Amino-1H-benzo[de]isoquinoline-1,3(2H)-dione
6-aminobenzo[de]isoquinoline-1,3-dione
BRN 0177185
CHEBI:40071
CHEMBL338790
DFP 1
EINECS 217-110-1
Naphthalimide, 4-amino-
PARP Inhibitor V, 4-ANI
SSMIFVHARFVINF-UHFFFAOYSA-N
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Structure
Formula
C12H8N2O2
Molecular Weight
212.208
Canonical SMILES
Nc1ccc2C(=O)NC(=O)c3cccc1c23
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InChI
InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
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InChIKey
SSMIFVHARFVINF-UHFFFAOYSA-N
CAS
1742-95-6
Physicochemical Property
logP
1.3056
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
72.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 1720
SID: 15067983
ChEMBL ID
CHEMBL338790
DrugBank ID
DB07096
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00839, Poly [ADP-ribose] polymerase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000028 PC-12
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 26 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 180 nM
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 14689.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-amino-1,8-naphthalimide )
Drug Name 4-amino-1,8-naphthalimide
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
 Target Info 
Inhibitor