CHEBI:145365 - crenolanib

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ChEBI Name crenolanib
ChEBI ID CHEBI:145365
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H29N5O2
Net Charge 0
Average Mass 443.551
Monoisotopic Mass 443.23213
InChI InChI=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
InChIKey DYNHJHQFHQTFTP-UHFFFAOYSA-N
SMILES C1=C2C=CC(=NC2=C(C=C1)N3CCC(CC3)N)N4C=5C=CC(=CC5N=C4)OCC6(COC6)C
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 2.7.10.1 (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.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
crénolanib WHO MedNet
crenolanib WHO MedNet
crenolanib WHO MedNet
crenolanibum WHO MedNet
Synonyms Sources
1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo-[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine ChEBI
1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-1,3-benzodiazol-1-yl}quinolin-8-yl)piperidin-4-amine ChEBI
1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1-benzimidazolyl]-8-quinolyl]-4-piperidinamine ChEBI
1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1H-benzimidazol-1-yl]-8-quinolinyl]-4-piperidinamine ChEBI
ARO 002 DrugBank
ARO-002 DrugBank
CP 868596 DrugBank
CP-868,596 DrugBank
CP-868596 DrugBank
CP868569 ChEBI
Manual Xrefs Databases
6T2 PDBeChem
Crenolanib Wikipedia
D10102 KEGG DRUG
DB11832 DrugBank
View more database links
Registry Number Type Source
670220-88-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
14 November 2019