Crenolanib
1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
Molecular Identity
Crenolanib
1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
PubChem CID: 10366136
Crenolanib is 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, PDGFRalpha/beta and FLT3 (IC50 of 11, 3.2, and 4 nM). Currently under clinical development for the treatment of acute myeloid leukemia. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer. It is a member of benzimidazoles, a member of quinolines, an aromatic ether, a member of oxetanes, an aminopiperidine and a tertiary amino compound.
2D Structure
Properties
C26H29N5O2
Molecular Formula
443.50
Molecular Weight
g/mol
443.2321
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
78.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
667
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Crenolanib670220-88-9CP-868596ARO-002CP-868,596crenolanibumARO 002LQF7I567TQCHEBI:145365DTXSID509858731-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-1,3-benzodiazol-1-yl}quinolin-8-yl)piperidin-4-amine1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-1,3-benzodiazol-1-yl)quinolin-8-yl)piperidin-4-amine1-(2-(5-((3-METHYLOXETAN-3-YL)METHOXY)-1H-BENZIMIDAZOL-1-YL)QUINOLIN-8-YL)PIPERIDIN-4-AMINERefChem:579405
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Crenolanib
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