L-888,291   Click here for help

GtoPdb Ligand ID: 1880

Synonyms: L-883,595
Compound class: Synthetic organic
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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 4
Topological polar surface area 67.53
Molecular weight 375.05
XLogP 5.04
No. Lipinski's rules broken 1
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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)
Selectivity at GPCRs
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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]