UNC4203   Click here for help

GtoPdb Ligand ID: 10131

Synonyms: MERTK inhibitor 19 [PMID: 30347155] | UNC4203A [US20150291606A1]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: The structure and activity of UNC4203 is disclosed in Zhao et al. (2018) [4] and we rendered the structure using the SMILES string provided therein. It is one of the chemical structures claimed in patent US20150291606A1 [3], with therapeutic uses of such compounds claimed in WO2015157125A1 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 69.45
Molecular weight 504.36
XLogP 5.29
No. Lipinski's rules broken 1
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Canonical SMILES CCCC(Nc1ncc2c(n1)n(cc2c1ccc(cc1)CN1CCCN(CC1)C)C1CCC(CC1)O)C
Isomeric SMILES CCC[C@@H](Nc1ncc2c(n1)n(cc2c1ccc(cc1)CN1CCCN(CC1)C)[C@@H]1CC[C@H](CC1)O)C
InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1
Bioactivity Comments
UNC4203 is active in vivo at subnanomolar concentrations [4]. It is almost 40-fold selective for MERTK over FLT3 in vitro.
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
MER proto-oncogene, tyrosine kinase Hs Inhibitor Inhibition 9.4 pKi - 4
pKi 9.4 (Ki 4.3x10-10 M) [4]
TYRO3 protein tyrosine kinase Hs Inhibitor Inhibition 8.4 pKi - 4
pKi 8.4 (Ki 3.87x10-9 M) [4]
fms related receptor tyrosine kinase 3 Hs Inhibitor Inhibition 7.8 pKi - 4
pKi 7.8 (Ki 1.614x10-8 M) [4]
AXL receptor tyrosine kinase Hs Inhibitor Inhibition 7.4 pKi - 4
pKi 7.4 (Ki 4.022x10-8 M) [4]