compound T.14   Click here for help

GtoPdb Ligand ID: 10385

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: T.14 is a dual action compound that acts as an inhibitor of VEGFR2 (KDR) and the PD-L1 protein [1]. Functionally it has antiangiogenic and immunomodulator actions, that are indicative of experimental anti-tumour potential.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 50.36
Molecular weight 378.11
XLogP 5.65
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)C=Cc1cccc(c1)NC(=O)Nc1ccc(cc1)Cl
Isomeric SMILES COc1ccc(cc1)/C=C/c1cccc(c1)NC(=O)Nc1ccc(cc1)Cl
InChI InChI=1S/C22H19ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H2,24,25,26)/b6-5+
InChI Key VGWVPSZVSVONQT-AATRIKPKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(4-chlorophenyl)-1-{3-[(1E)-2-(4-methoxyphenyl)ethenyl]phenyl}urea
Database Links Click here for help
GtoPdb PubChem SID 384403664
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