WB4-24


SMILES COC1=C(OC(=O)C2=CC=CS2)C=CC(=C1)[C@H]3C(NC(=O)C4=CC=C(NC(=O)C(C)C)C=C4)([C@@H](C5=CC(OC)=C(OC(=O)C6=CC=CS6)C=C5)C3(NC(=O)C7=CC=C(NC(=O)C(C)C)C=C7)C(O)=O)C(O)=O
InChIKey YCBYMFFEJARIGU-LWOAYTNXSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 6
Rotatable bonds 18
Molecular weight (Da) 1016.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7X8S

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Mouse Prostanoid A pKi 6.39 6.39 6.39 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 9.07 9.07 9.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP3 PE2R3 Mouse Prostanoid A pIC50 7.96 7.96 7.96 ChEMBL