compound 1l [PMID: 16644217]   Click here for help

GtoPdb Ligand ID: 8810

Compound class: Synthetic organic
Comment: Compound 1l potently inhibits the fatty acid transport protein 4 (SLC27A4) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 110.57
Molecular weight 373.16
XLogP 4.44
No. Lipinski's rules broken 0
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Canonical SMILES CCCCC=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]
Isomeric SMILES CCCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]
InChI InChI=1S/C19H23N3O5/c1-3-4-5-6-7-12-27-18(23)16-13(2)20-19(24)21-17(16)14-8-10-15(11-9-14)22(25)26/h6-11,17H,3-5,12H2,1-2H3,(H2,20,21,24)/b7-6+
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Fatty acid transport protein 4 Hs Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 9x10-8 M) [1]