compound 8a [PMID: 24900283]
SMILES | Cc1c(C)ccc2c1N(Cc1c(N2)nc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C |
InChIKey | OAIVSBLLDFJYMS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 489.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 9.32 | 9.32 | 9.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP3 | PE2R3 | Mouse | Prostanoid | A | pIC50 | 8.27 | 8.27 | 8.27 | ChEMBL |