compound 8h [PMID: 22765894]   Click here for help

GtoPdb Ligand ID: 8175

Compound class: Synthetic organic
Comment: Compound 8h is reported to be a potent inhibitor of several receptor tyrosine kinases, including VEGFRs 1-3, PDGFR, and FGFR1, as well the Src family kinases Src and Yes and the serine threonine kinases MAP4K3 and Rsk2 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 73.05
Molecular weight 447.18
XLogP 4
No. Lipinski's rules broken 0
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Canonical SMILES CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc[nH]1)c1ccc(cc1)Cl)C(=O)N2
Isomeric SMILES CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc[nH]1)c1ccc(cc1)Cl)C(=O)N2
InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
ChEMBL Ligand CHEMBL2086760
GtoPdb PubChem SID 249565855
PubChem CID 67161540
Search Google for chemical match using the InChIKey XHCPCYVQXFHJAU-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey XHCPCYVQXFHJAU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XHCPCYVQXFHJAU-UHFFFAOYSA-N