CJ-042794
SMILES | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F |
InChIKey | MWBNCZHVEXULBD-ZDUSSCGKSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 413.1 |
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 |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.51 | 8.51 | 8.51 | Guide to Pharmacology |
EP4 | PE2R4 | Human | Prostanoid | A | pKd | 8.75 | 8.75 | 8.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Human | Prostanoid | A | pIC50 | 6.15 | 6.15 | 6.15 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 7.42 | 7.87 | 8.18 | ChEMBL |