General Information of the Compound
Compound ID
CP0092370
Compound Name
1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
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Synonyms
1-(2-(5-((3-Methyloxetan-3-yl)methoxy)-1H-benzo-[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine
1-[2-[5-[(3-Methyl-3-oxetanyl)methoxy]-1-benzimidazolyl]-8-quinolyl]-4-piperidinamine
1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
670220-88-9
ARO-002
CP-868,596
CP-868596
CP-868596 (Crenolanib)
CP868569
Crenolanib
Crenolanib (CP-868596)
J-502712
LQF7I567TQ
UNII-LQF7I567TQ
[1-[2-[5-(3-Methyloxetan-3-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]amine
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Structure
Formula
C26H29N5O2
Molecular Weight
443.551
Canonical SMILES
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
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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
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InChIKey
DYNHJHQFHQTFTP-UHFFFAOYSA-N
CAS
670220-88-9
Physicochemical Property
logP
3.9165
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
78.43
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
33

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10366136
SID: 15379617
ChEMBL ID
CHEMBL2105728
DrugBank ID
DB11832
Clinical Information about the Compound
Drug 1 ( CP-868596 )
Drug Name CP-868596
Company Pfizer
Indication
Gastrointestinal cancer
Phase 3
Gastrointestinal stromal tumour
Phase 3
Acute myeloid leukaemia
Phase 2
Acute myelogenous leukaemia
Phase 2
Malignant glioma
Phase 1
Target(s)
Proto-oncogene c-Src (SRC)
 Target Info 
Inhibitor
Platelet-derived growth factor receptor alpha (PDGFRA)
 Target Info 
Modulator