CHEMBL270923
SMILES | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |
InChIKey | WUPNBGOBZWSAPY-RUPCYPOASA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 10 |
Rotatable bonds | 12 |
Molecular weight (Da) | 883.4 |
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 |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 6.41 | 6.41 | 6.41 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 6.26 | 6.26 | 6.26 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 4.69 | 4.69 | 4.69 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |