CHEMBL498150
SMILES | CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 |
InChIKey | SYIWIZYUJLMOJX-HRFSGMKKSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 544.2 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pKi | 5.09 | 5.09 | 5.09 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 8.27 | 8.27 | 8.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |