CHEMBL4071283
SMILES | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |
InChIKey | DCMCPTOMECWXCP-UEJDMFTASA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 11 |
Rotatable bonds | 11 |
Molecular weight (Da) | 987.5 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 7.34 | 7.34 | 7.34 | ChEMBL |