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CHEBI:229962 - LDN-212854

ChEBI IDCHEBI:229962
ChEBI NameLDN-212854
Stars
DefinitionA 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).
Last Modified12 April 2024
Submitterdoughowe
DownloadsMolfile
FormulaC25H22N6
Net Charge0
Average Mass406.493
Monoisotopic Mass406.19059
SMILESc1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1
InChIInChI=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
InChIKeyBBDGBGOVJPEFBT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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).
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
LDN212854ChEBI
LDN 212854ChEBI
5-[6-[4-(1-piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-quinolineChEBI
Citations