lucitanib   

GtoPdb Ligand ID: 7649

Synonyms: E-3810 amine | E3810
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.
2D Structure
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Physico-chemical Properties
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
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
Classification
Compound class Synthetic organic
IUPAC Name
6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
International Nonproprietary Names
INN number INN
9581 lucitanib
Synonyms
E-3810 amine | E3810
Database Links
CAS Registry No. 1058137-23-7
ChEBI CHEBI:65209
ChEMBL Ligand CHEMBL2220486
GtoPdb PubChem SID 223365984
PubChem CID 25031915
RCSB PDB Ligand 3ZC
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