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 |