CHEMBL3938696
SMILES | CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)Nc4nc5ccccc5[nH]4)c(OCC(=O)O)c3)CC2)cc1 |
InChIKey | DWNZNXSYHJCXBX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 10 |
Molecular weight (Da) | 593.2 |
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 |
DP1 | PD2R | Human | Prostanoid | A | pKi | 4.66 | 4.66 | 4.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pIC50 | 6.68 | 6.68 | 6.68 | ChEMBL |