CCT196969   Click here for help

GtoPdb Ligand ID: 9815

Compound class: Synthetic organic
Comment: CCT196969 is an orally active pan RAF inhibitor that also inhibits SRC family kinases [1]. It was designed to show that the addition of SRC family kinase inhibition alongside RAF inhibition is able to circumvent the paradoxical SRC-mediated re-activation of the RAF-MAP kinase pathway that is observed in tumours with acquired resistance to RAF inhibitors.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 126.3
Molecular weight 513.19
XLogP 3.63
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1cc(nn1c1ccccc1)C(C)(C)C)Nc1ccc(cc1F)Oc1ccnc2c1ncc(=O)[nH]2
Isomeric SMILES O=C(Nc1cc(nn1c1ccccc1)C(C)(C)C)Nc1ccc(cc1F)Oc1ccnc2c1ncc(=O)[nH]2
InChI InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
GtoPdb PubChem SID 354702287
PubChem CID 42628843
Search Google for chemical match using the InChIKey KYYKGSDLXXKQCR-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey KYYKGSDLXXKQCR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KYYKGSDLXXKQCR-UHFFFAOYSA-N