Molecule Details
InChIKeyZXBHFWFKSIYJEK-MFJOXFORSA-N
Compound NameS-5751
Canonical SMILESCC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.14
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q13258 PTGDR Homo sapiens Human PF00001 9.2 IC50 ChEMBL;BindingDB
P41222 PTGDS Homo sapiens Human PF00061 8.2 Ki BindingDB
P21731 TBXA2R Homo sapiens Human PF00001 7.0 IC50 ChEMBL;BindingDB