VU0364739   Click here for help

GtoPdb Ligand ID: 5287

Synonyms: VU 0364739
Compound class: Synthetic organic
Comment: This compound is used as a probe for PLD2 function.
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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 6
Topological polar surface area 64.68
Molecular weight 446.21
XLogP 4.24
No. Lipinski's rules broken 0
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Canonical SMILES Fc1cccc(c1)N1CNC(=O)C21CCN(CC2)CCNC(=O)c1ccc2c(c1)cccc2
Isomeric SMILES Fc1cccc(c1)N1CNC(=O)C21CCN(CC2)CCNC(=O)c1ccc2c(c1)cccc2
InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
PLD2 Hs Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.99x10-8 M) [1]