CHEMBL179836
SMILES | CCCN(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O |
InChIKey | XMTYQIRCWZBVAL-URLMMPGGSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 637.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 6.68 | 6.68 | 6.68 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.6 | 8.8 | 10.0 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 9.36 | 9.36 | 9.36 | ChEMBL |