PS-1145 (CHEBI:94801)

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ChEBI Name	PS-1145

ChEBI ID	CHEBI:94801

Definition	A 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).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H11ClN4O

Net Charge

Average Mass

322.750

Monoisotopic Mass

322.06214

InChI

InChI=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)

InChIKey

JZRMBDHPALEPDM-UHFFFAOYSA-N

SMILES

ClC1=CC(NC(=O)C2=CN=CC=C2)=C2NC3=C(C=CN=C3)C2=C1

Roles Classification
Biological Role(s):	EC 2.7.11.10 (IkappaB kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of IkappaB kinase (EC 2.7.11.10). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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 β-carbolines (CHEBI:60834) 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)

IUPAC Name

N-(6-chloro-9H-β-carbolin-8-yl)pyridine-3-carboxamide

Synonyms	Sources
IKK inhibitor X	ChEBI
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamide	ChEBI
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)nicotinamide	ChEBI
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide	IUPAC
PS 1145	ChEBI
PS1145	ChEBI

Registry Number	Type	Source
431898-65-6	CAS Registry Number	ChEBI

Last Modified

03 July 2024