CHEMBL583014
| SMILES | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1 |
| InChIKey | YHSRTUXPXLVIAG-CALCHBBNSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 489.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 5.88 | 5.88 | 5.88 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |