CHEMBL364841
SMILES | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 |
InChIKey | XECAIYOLUPUKEJ-QFIPXVFZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 470.2 |
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 |
FP | PF2R | Mouse | Prostanoid | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
DP1 | PD2R | Mouse | Prostanoid | A | pKi | 7.8 | 7.85 | 8.0 | ChEMBL |
EP1 | PE2R1 | Mouse | Prostanoid | A | pKi | 5.21 | 5.21 | 5.21 | ChEMBL |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
IP | PI2R | Human | Prostanoid | A | pKi | 7.43 | 7.43 | 7.43 | ChEMBL |
DP1 | PD2R | Human | Prostanoid | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Mouse | Prostanoid | A | pIC50 | 8.62 | 8.62 | 8.62 | ChEMBL |
DP1 | PD2R | Human | Prostanoid | A | pIC50 | 7.24 | 8.08 | 8.92 | ChEMBL |