CHEMBL569727
SMILES | COc1cc(CC(=O)O)ccc1Oc1ccc(C(=O)NCC(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1Cl |
InChIKey | XYKYMHFXRVVCDR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 580.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pIC50 | 7.23 | 7.23 | 7.23 | ChEMBL |
DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 8.52 | 8.52 | 8.52 | ChEMBL |