L-888,291   Click here for help

GtoPdb Ligand ID: 1880

Synonyms: L-883,595
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 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 67.53
Molecular weight 375.05
XLogP 5.04
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(=O)CC1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F
Isomeric SMILES OC(=O)CC1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F
InChI InChI=1S/C19H15ClFNO2S/c20-12-1-4-14(5-2-12)25-19-15-6-3-13(21)10-16(15)22-8-7-11(18(19)22)9-17(23)24/h1-6,10-11H,7-9H2,(H,23,24)
InChI Key GSBAVONRPNJJOH-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
DP1 receptor Hs Agonist Full agonist 7.4 pKi - 1
pKi 7.4 [1]
DP2 receptor Hs Agonist Full agonist 7.3 pKi - 1
pKi 7.3 (Ki 4.8x10-8 M) [1]