arachidonyl-2-chloroethylamide   Click here for help

GtoPdb Ligand ID: 738

Abbreviated name: ACEA
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 17
Topological polar surface area 29.1
Molecular weight 365.25
XLogP 8.9
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCl
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl
InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChI Key SCJNCDSAIRBRIA-DOFZRALJSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
CB1 receptor Rn Agonist Full agonist 8.9 pKi - 1
pKi 8.9 [1]