SNAP-7941
| SMILES | COCC1=C(C(=O)OC)[C@@H](N(C(=O)N1)C(=O)NCCCN1CCC(CC1)c1cccc(c1)NC(=O)C)c1ccc(c(c1)F)F |
| InChIKey | FWMHZWMPUWAUPL-NDEPHWFRSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 613.3 |
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 |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pKd | 9.24 | 9.49 | 9.74 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
| MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pKd | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| MCH1 | MCHR1 | Rat | Melanin-concentrating hormone | A | pKi | 8.7 | 9.3 | 9.6 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 7.82 | 8.17 | 8.52 | ChEMBL |
| MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pA2 | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |