DG-041
| SMILES | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C |
| InChIKey | BFBTVZNKWXWKNZ-HWKANZROSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 589.9 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP3 | PE2R3 | Human | Prostanoid | A | pKi | 9.4875 | 9.49 | 9.49 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Human | Prostanoid | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
| EP3 | PE2R3 | Human | Prostanoid | A | pIC50 | 8.22 | 8.31 | 8.34 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 5.09 | 5.09 | 5.09 | ChEMBL |
| IP | PI2R | Human | Prostanoid | A | pIC50 | 4.84 | 4.84 | 4.84 | ChEMBL |
| EP3 | PE2R3 | Mouse | Prostanoid | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |