lucitanib   Click here for help

GtoPdb Ligand ID: 7649

Synonyms: E-3810 amine | E3810
PDB Ligand
Compound class: Synthetic organic
Comment: Lucitanib is an inhibitor of multiple receptor tyrosine kinases [2] that was investigated for anti-angiogenic and anti-tumourigenic efficacy.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 95.7
Molecular weight 443.18
XLogP 3.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)c1cccc2c1ccc(c2)Oc1ccnc2c1cc(OC)c(c2)OCC1(N)CC1
Isomeric SMILES CNC(=O)c1cccc2c1ccc(c2)Oc1ccnc2c1cc(OC)c(c2)OCC1(N)CC1
InChI InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)
InChI Key CUDVHEFYRIWYQD-UHFFFAOYSA-N
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
kinase insert domain receptor Hs Inhibitor Inhibition 8.4 pIC50 - 2
pIC50 8.4 (IC50 4x10-9 M) [2]
fibroblast growth factor receptor 1 Hs Inhibitor Inhibition 8.1 pIC50 - 2
pIC50 8.1 (IC50 7x10-9 M) [2]
platelet derived growth factor receptor beta Hs Inhibitor Inhibition 8.1 pIC50 - 2
pIC50 8.1 (IC50 8x10-9 M) [2]
fms related receptor tyrosine kinase 1 Hs Inhibitor Inhibition 7.9 pIC50 - 2
pIC50 7.9 (IC50 1.2x10-8 M) [2]
platelet derived growth factor receptor alpha Hs Inhibitor Inhibition 7.9 pIC50 - 2
pIC50 7.9 (IC50 1.3x10-8 M) [2]
ret proto-oncogene Hs Inhibitor Inhibition 6.7 pIC50 - 2
pIC50 6.7 (IC50 2x10-7 M) [2]
KIT proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 6.3 pIC50 - 2
pIC50 6.3 (IC50 5.27x10-7 M) [2]