AL-8810   Click here for help

GtoPdb Ligand ID: 1956

Synonyms: AL 8810 | AL8810
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 77.76
Molecular weight 402.22
XLogP 3.83
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OC(=O)CCCC=CCC1C(O)CC(C1C=CC(C1Cc2c(C1)cccc2)O)F
Isomeric SMILES OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H]([C@@H]1/C=C/[C@@H](C1Cc2c(C1)cccc2)O)F
InChI InChI=1S/C24H31FO4/c25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18/h1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29)/b3-1-,12-11+/t19-,20-,21+,22+,23+/m1/s1
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
FP receptor Mm Agonist Partial agonist 6.7 pEC50 - 1
pEC50 6.7 [1]
FP receptor Rn Agonist Partial agonist 6.7 pEC50 - 1
pEC50 6.7 [1]