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CHEBI:94801 - PS-1145

ChEBI IDCHEBI:94801
ChEBI NamePS-1145
Stars
DefinitionA member of the class of β-carbolines that is 9H-β-carboline substituted by chloro and (pyridin-3-ylcarbonyl)amino groups at positions 6 and 8, respectively. It is a IκB kinase β (IKKβ) inhibitor (IC50 = 88 nM).
Last Modified3 July 2024
DownloadsMolfile
FormulaC17H11ClN4O
Net Charge0
Average Mass322.755
Monoisotopic Mass322.06214
SMILESO=C(Nc1cc(Cl)cc2c1nc1cnccc12)c1cccnc1
InChIInChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
InChIKeyJZRMBDHPALEPDM-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 2.7.11.10 (IkappaB kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of IκB kinase (EC 2.7.11.10).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
PS-1145 (CHEBI:94801) has role antineoplastic agent (CHEBI:35610)
PS-1145 (CHEBI:94801) has role apoptosis inducer (CHEBI:68495)
PS-1145 (CHEBI:94801) has role EC 2.7.11.10 (IκB kinase) inhibitor (CHEBI:77113)
PS-1145 (CHEBI:94801) is a organochlorine compound (CHEBI:36683)
PS-1145 (CHEBI:94801) is a pyridinecarboxamide (CHEBI:25529)
PS-1145 (CHEBI:94801) is a secondary carboxamide (CHEBI:140325)
PS-1145 (CHEBI:94801) is a β-carbolines (CHEBI:60834)
IUPAC Name 
N-(6-chloro-9H-β-carbolin-8-yl)pyridine-3-carboxamide
Synonyms  Source
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamideIUPAC
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamideChEBI
PS1145ChEBI
PS 1145ChEBI
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)nicotinamideChEBI
IKK inhibitor XChEBI
Manual XrefsDatabases
LSM-5975LINCS
HMDB0256885HMDB
Registry NumbersSources
CAS:431898-65-6ChEBI
Citations