LDC1267   Click here for help

GtoPdb Ligand ID: 8247

PDB Ligand
Compound class: Synthetic organic
Comment: LDC1267 is a selective inhibitor of TAM family kinases (Type XI receptor tyrosine kinases, TYRO3, Axl and MER) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 96.21
Molecular weight 560.19
XLogP 5.41
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCOc1cn(nc1C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccc(cc1C)F
Isomeric SMILES CCOc1cn(nc1C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccc(cc1C)F
InChI InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)
InChI Key ISPBCAXOSOLFME-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
Database Links Click here for help
CAS Registry No. 1361030-48-9
GtoPdb PubChem SID 249565927
PubChem CID 56847486
RCSB PDB Ligand R6H
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