DMP696
| SMILES | COCC(Nc1nc(C)nc2n1nc(c2c1ccc(cc1Cl)Cl)C)COC |
| InChIKey | MDWRPTOUDPFXKK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 409.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | CRF1 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CRF1 | CRFR1 | Human | Corticotropin-releasing factor | B1 | pKi | 8.3 | 8.65 | 9.0 | Guide to Pharmacology |
| CRF1 | CRFR1 | Human | Corticotropin-releasing factor | B1 | pKi | 8.7 | 8.74 | 8.77 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CRF1 | CRFR1 | Human | Corticotropin-releasing factor | B1 | pIC50 | 7.09 | 7.32 | 7.4 | ChEMBL |
| CRF1 | CRFR1 | Rat | Corticotropin-releasing factor | B1 | pIC50 | 8.38 | 8.74 | 8.92 | ChEMBL |