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CHEBI:167900 - PJ34

Default Structure
ChEBI IDCHEBI:167900
ChEBI NamePJ34
Stars
DefinitionA member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties.
Secondary ChEBI IDCHEBI:44653
Last Modified7 April 2021
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC17H17N3O2
Net Charge0
Average Mass295.342
Monoisotopic Mass295.13208
SMILESCN(C)CC(=O)Nc1ccc2nc(=O)c3ccccc3c2c1
InChIInChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUYJZZVDLGDDTCL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor  An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of a NAD+ ADP-ribosyltransferase (EC 2.4.2.30).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
antiatherosclerotic agent  A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
PJ34 (CHEBI:167900) has role angiogenesis inhibitor (CHEBI:48422)
PJ34 (CHEBI:167900) has role anti-inflammatory agent (CHEBI:67079)
PJ34 (CHEBI:167900) has role antiatherosclerotic agent (CHEBI:145947)
PJ34 (CHEBI:167900) has role antineoplastic agent (CHEBI:35610)
PJ34 (CHEBI:167900) has role apoptosis inducer (CHEBI:68495)
PJ34 (CHEBI:167900) has role cardioprotective agent (CHEBI:77307)
PJ34 (CHEBI:167900) has role EC 2.4.2.30 (NAD+ ADP-ribosyltransferase) inhibitor (CHEBI:62913)
PJ34 (CHEBI:167900) has role neuroprotective agent (CHEBI:63726)
PJ34 (CHEBI:167900) is a phenanthridines (CHEBI:51245)
PJ34 (CHEBI:167900) is a secondary carboxamide (CHEBI:140325)
PJ34 (CHEBI:167900) is a tertiary amino compound (CHEBI:50996)
PJ34 (CHEBI:167900) is conjugate base of PJ34(1+) (CHEBI:167903)
Incoming Relation(s)
PJ34(1+) (CHEBI:167903) is conjugate acid of PJ34 (CHEBI:167900)
IUPAC Name 
2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamide
Synonyms  Source
2-(dimethylaminoacetylamino)-5,6-dihydrophenanthridine-6-oneChEBI
2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamideChEBI
N-(5,6-dihydro-6-oxo-2-phenanthridinyl)-2-(dimethylamino)acetamideChEBI
N-(5,6-dihydro-6-oxophenanthridine-2-yl)-2-(dimethylamino)acetamideChEBI
N2,N2-dimethyl-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamideIUPAC
PJ 34ChEBI
Manual XrefsDatabases
4692ChemSpider
DB08348DrugBank
LSM-4937LINCS
P34PDBeChem
Registry NumbersSources
CAS:344458-19-1ChEBI
Citations