CCT241161   Click here for help

GtoPdb Ligand ID: 9814

Compound class: Synthetic organic
Comment: CCT241161 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. CCT241161 is marginally more potent in vitro than the analogue CCT196969 [1].
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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 9
Topological polar surface area 151.6
Molecular weight 541.19
XLogP 4.21
No. Lipinski's rules broken 0
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Canonical SMILES CSc1cc(ccc1NC(=O)Nc1cc(nn1c1ccccc1)C(C)(C)C)Oc1ccnc2c1ncc(=O)[nH]2
Isomeric SMILES CSc1cc(ccc1NC(=O)Nc1cc(nn1c1ccccc1)C(C)(C)C)Oc1ccnc2c1ncc(=O)[nH]2
InChI InChI=1S/C28H27N7O3S/c1-28(2,3)22-15-23(35(34-22)17-8-6-5-7-9-17)32-27(37)31-19-11-10-18(14-21(19)39-4)38-20-12-13-29-26-25(20)30-16-24(36)33-26/h5-16H,1-4H3,(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 354702286
PubChem CID 44132853
Search Google for chemical match using the InChIKey DPMYVVGAYAPQNS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DPMYVVGAYAPQNS
UniChem Compound Search for chemical match using the InChIKey DPMYVVGAYAPQNS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DPMYVVGAYAPQNS-UHFFFAOYSA-N