CHEMBL1917584
SMILES | CCCS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1 |
InChIKey | QFQUBMNSUVCILE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 406.1 |
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 |
DP2 | PD2R2 | Mouse | Prostanoid | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
DP1 | PD2R | Human | Prostanoid | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 7.09 | 7.58 | 8.15 | ChEMBL |