CHEBI:138487 - paullone

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ChEBI Name paullone
ChEBI ID CHEBI:138487
Definition An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Charles Tapley Hoyt
Supplier Information
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Formula C16H12N2O
Net Charge 0
Average Mass 248.280
Monoisotopic Mass 248.09496
InChI InChI=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)
InChIKey VGMDAWVZNAXVDG-UHFFFAOYSA-N
SMILES C12=CC=CC=C2C=3CC(NC4=CC=CC=C4C3N1)=O
Roles Classification
Biological Role(s): 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).
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).
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ChEBI Ontology
Outgoing 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 alsterpaullone (CHEBI:138488) 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-one SUBMITTER
Registry Numbers Types Sources
142273-18-5 CAS Registry Number Reaxys
5342884 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20559856 PubMed citation SUBMITTER
21513499 PubMed citation SUBMITTER
27737502 PubMed citation Europe PMC
28197562 PubMed citation Europe PMC
Last Modified
04 October 2017