EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145365 - crenolanib

ChEBI IDCHEBI:145365
ChEBI Namecrenolanib
Stars
DefinitionA member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a 8-(4-aminopiperidin-1-yl)quinolin-2-yl group at position 1 and by a (3-methyloxetan-3-yl)methoxy group at position 5. It is an inhibitor of type III tyrosine kinases, PDGFRα/β and FLT3 (IC50 of 11, 3.2, and 4 nM). Currently under clinical development for the treatment of acute myeloid leukemia.
Last Modified14 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC26H29N5O2
Net Charge0
Average Mass443.551
Monoisotopic Mass443.23213
SMILESCC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
InChIInChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
InChIKeyDYNHJHQFHQTFTP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
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 Relation(s)
crenolanib (CHEBI:145365) has role angiogenesis inhibitor (CHEBI:48422)
crenolanib (CHEBI:145365) has role antineoplastic agent (CHEBI:35610)
crenolanib (CHEBI:145365) has role apoptosis inducer (CHEBI:68495)
crenolanib (CHEBI:145365) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
crenolanib (CHEBI:145365) is a aminopiperidine (CHEBI:48588)
crenolanib (CHEBI:145365) is a aromatic ether (CHEBI:35618)
crenolanib (CHEBI:145365) is a benzimidazoles (CHEBI:22715)
crenolanib (CHEBI:145365) is a oxetanes (CHEBI:38784)
crenolanib (CHEBI:145365) is a quinolines (CHEBI:26513)
crenolanib (CHEBI:145365) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine
INNs  Source
crenolanibumWHO MedNet
crenolanibWHO MedNet
crenolanibWHO MedNet
crénolanibWHO MedNet
Synonyms  Source
ARO-002DrugBank
ARO 002DrugBank
CP-868596DrugBank
CP 868596DrugBank
CP-868,596DrugBank
CP868569ChEBI
Manual XrefsDatabases
DB11832DrugBank
D10102KEGG DRUG
CrenolanibWikipedia
6T2PDBeChem
Registry NumbersSources
CAS:670220-88-9ChemIDplus
Citations