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CHEBI:232977 - MC2050

Default Structure
ChEBI IDCHEBI:232977
ChEBI NameMC2050
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC19H21N5OS
Net Charge0
Average Mass367.478
Monoisotopic Mass367.14668
SMILESOc1nc(SCCN2CCN(c3ccccn3)CC2)nc2ccccc12
InChIInChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)
InChIKeyAFXJUCILCGBUNX-UHFFFAOYSA-N
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
MC2050 (CHEBI:232977) has role EC 2.4.2.30 (NAD+ ADP-ribosyltransferase) inhibitor (CHEBI:62913)
MC2050 (CHEBI:232977) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3H-quinazolin-4-one
Citations