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DCC-2036 (CHEBI:62166)

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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
Supplier Information
See structure as:  Image  Applet
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Formula Source
C30H28FN7O3 ChEBI
Net Charge 0
Average Mass 553.58680
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
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
Roles Classification
Chemical Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
View more on the ChEBI Ontology
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 pyrazoles (CHEBI:26410)
DCC-2036 (CHEBI:62166) is a pyridinecarboxamide (CHEBI:25529)
DCC-2036 (CHEBI:62166) is a quinolines (CHEBI:26513)
DCC-2036 (CHEBI:62166) is a ureas (CHEBI:47857)
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 Link Database
WO2008046003 Patent
View more database links
Registry Number Type Source
15642205 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21481795 PubMed citation SUBMITTER
Last Modified
19 May 2011

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