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CHEBI:138487 - paullone

ChEBI IDCHEBI:138487
ChEBI Namepaullone
Stars
DefinitionAn indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6.
Last Modified9 November 2021
SubmitterCharles Tapley Hoyt
DownloadsMolfile
FormulaC16H12N2O
Net Charge0
Average Mass248.285
Monoisotopic Mass248.09496
SMILESO=C1Cc2c(nc3ccccc23)-c2ccccc2N1
InChIInChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
InChIKeyVGMDAWVZNAXVDG-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 2.7.11.26 (tau-protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of tau-protein kinase inhibitor (EC 2.7.11.26).
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
ChEBI Ontology
Outgoing Relation(s)
paullone (CHEBI:138487) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
paullone (CHEBI:138487) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092)
paullone (CHEBI:138487) is a indolobenzazepine (CHEBI:138606)
paullone (CHEBI:138487) is a lactam (CHEBI:24995)
Incoming Relation(s)
alsterpaullone (CHEBI:138488) has functional parent paullone (CHEBI:138487)
kenpaullone (CHEBI:92658) has functional parent paullone (CHEBI:138487)
IUPAC Name 
7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
Synonym  Source
8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-oneSUBMITTER
Registry NumbersSources
Reaxys:5342884Reaxys
CAS:142273-18-5Reaxys
Citations