NBI27914
| SMILES | CCCN(c1nc(C)nc(c1Cl)Nc1c(Cl)cc(cc1Cl)Cl)CC1CC1 |
| InChIKey | KNADXBVKFAUMCR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 432.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/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 | Rat | Corticotropin-releasing factor | B1 | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
| CRF1 | CRFR1 | Human | Corticotropin-releasing factor | B1 | pKi | 7.7 | 8.45 | 8.77 | ChEMBL |
| CRF1 | CRFR1 | Human | Corticotropin-releasing factor | B1 | pKi | 8.3 | 8.65 | 9.0 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.8 | 5.8 | 5.8 | ChEMBL |