Chemical Component Summary

Name3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE
Identifiers5-methyl-3,4-dihydro-2H-isoquinolin-1-one
FormulaC10 H11 N O
Molecular Weight161.2
TypeNON-POLYMER
Isomeric SMILESCc1cccc2c1CCNC2=O
InChIInChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyRLLZPXDJYADIEU-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count24
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB03722 
Name3,4-Dihydro-5-Methyl-Isoquinolinone
Groups experimental
Synonyms3,4-Dihydro-5-Methyl-Isoquinolinone

Drug Targets

NameTarget SequencePharmacological ActionActions
Poly [ADP-ribose] polymerase 1MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPH...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL125200
PubChem 148140
ChEMBL CHEMBL125200
ChEBI CHEBI:41928