Molecule Details
InChIKeyZGGLMGHJHZWEKX-UHFFFAOYSA-N
Compound Name26-Tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,9,16,19,22-hexaoxatricyclo[22.3.1.0^{10,15}]octacosa-1(28),10(15),11,13,24,26-hexaene-28-carboxylic acid
Canonical SMILESO=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.42
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P21453 S1PR1 Homo sapiens Human PF00001 8.1 IC50 ChEMBL;BindingDB
Q9H228 S1PR5 Homo sapiens Human PF00001 7.7 IC50 ChEMBL;BindingDB
O95977 S1PR4 Homo sapiens Human PF00001 6.5 IC50 ChEMBL;BindingDB