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
SMILES / InChI / InChIKey
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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)
InChI Key XHCPCYVQXFHJAU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(4-chlorophenyl)-(1H-imidazol-2-yl)methylidene]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-one
Database Links Click here for help
ChEMBL Ligand CHEMBL2086760
GtoPdb PubChem SID 249565855
PubChem CID 67161540
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