CHEMBL471340
SMILES | CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1 |
InChIKey | AXBQVTBYSIEJPU-XQZUBTRRSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 10 |
Molecular weight (Da) | 534.2 |
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 |
MC5 | MC5R | Human | Melanocortin | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.3 | 7.19 | 8.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.38 | 6.38 | 6.38 | ChEMBL |