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CHEBI:167900 - PJ34

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:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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).
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
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.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
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
PJ 34ChEBI
PJ-34ChEBI
N2,N2-dimethyl-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamideIUPAC
2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamideChEBI
2-(dimethylaminoacetylamino)-5,6-dihydrophenanthridine-6-oneChEBI
N-(5,6-dihydro-6-oxophenanthridine-2-yl)-2-(dimethylamino)acetamideChEBI
Manual XrefsDatabases
P34PDBeChem
DB08348DrugBank
LSM-4937LINCS
4692ChemSpider
Registry NumbersSources
CAS:344458-19-1ChEBI
Citations