CHEMBL460349
SMILES | CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 |
InChIKey | YBCXRFXRMKTZQS-ZNZIZOMTSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 504.3 |
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 | 5.0 | 5.0 | 5.0 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.62 | 6.62 | 6.62 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.51 | 7.51 | 7.51 | ChEMBL |