LDN-212854 (CHEBI:229962)

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ChEBI Name	LDN-212854

ChEBI ID	CHEBI:229962

Definition	A member of the class of quinolines that is quinoline substituted by a 6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl group at position 5. It is a potent ALK inhibitor (IC₅₀ values of 2.4, 1.3, 85.8, 2,133 and 9,276 nM for ALK1, ALK2, ALK3, ALK4 and ALK5, respectively).

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

Submitter	Doug Howe

Supplier Information

Download	Molfile XML SDF

Formula

C25H22N6

Net Charge

Average Mass

406.493

Monoisotopic Mass

406.19059

InChI

InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2

InChIKey

BBDGBGOVJPEFBT-UHFFFAOYSA-N

SMILES

C1CN(CCN1)C1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=C2C=CC=NC2=CC=C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	EC 2.7.11.30 (receptor protein serine/threonine kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the activity of receptor protein serine/threonine kinase (EC 2.7.11.30).

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.

ChEBI Ontology
Outgoing	LDN-212854 (CHEBI:229962) has role angiogenesis inhibitor (CHEBI:48422) LDN-212854 (CHEBI:229962) has role antineoplastic agent (CHEBI:35610) LDN-212854 (CHEBI:229962) has role EC 2.7.11.30 (receptor protein serine/threonine kinase) inhibitor (CHEBI:137123) LDN-212854 (CHEBI:229962) is a N-arylpiperazine (CHEBI:46848) LDN-212854 (CHEBI:229962) is a pyrazolopyrimidine (CHEBI:38669) LDN-212854 (CHEBI:229962) is a quinolines (CHEBI:26513)

IUPAC Name

5-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline

Synonyms	Sources
5-[6-[4-(1-piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-quinoline	ChEBI
LDN 212854	ChEBI
LDN212854	ChEBI

Last Modified

12 April 2024