CHEBI:62166 - DCC-2036

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ChEBI Name DCC-2036
ChEBI ID CHEBI:62166
Definition A member of the class of ureas that is urea in which one of the nitrogens bears a 3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl substituent, while the other bears a 2-fluoro-4-{[2-(methylcarbamoyl)pyridin-4-yl]oxy}phenyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
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Formula C30H28FN7O3
Net Charge 0
Average Mass 553.588
Monoisotopic Mass 553.224
InChI InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)
InChIKey WVXNSAVVKYZVOE-UHFFFAOYSA-N
SMILES N=1N(C(=CC1C(C)(C)C)NC(=O)NC=2C(=CC(=CC2)OC=3C=CN=C(C3)C(=O)NC)F)C4=CC=C5N=CC=CC5=C4
Roles Classification
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
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ChEBI Ontology
Outgoing DCC-2036 (CHEBI:62166) has role tyrosine kinase inhibitor (CHEBI:38637)
DCC-2036 (CHEBI:62166) is a organofluorine compound (CHEBI:37143)
DCC-2036 (CHEBI:62166) is a phenylureas (CHEBI:134043)
DCC-2036 (CHEBI:62166) is a pyrazoles (CHEBI:26410)
DCC-2036 (CHEBI:62166) is a pyridinecarboxamide (CHEBI:25529)
DCC-2036 (CHEBI:62166) is a quinolines (CHEBI:26513)
IUPAC Name
4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
Synonym Source
1-[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]-3-{2-fluoro-4-[2-(methylcarbamoyl)pyridin-4-yloxy]phenyl}urea ChEBI
Database Links Databases
LSM-6708 LINCS
WO2008046003 Patent
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Registry Number Type Source
15642205 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21481795 PubMed citation SUBMITTER
Last Modified
26 November 2016