CHEMBL338768
SMILES | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)c2ccccc21 |
InChIKey | AYRYPORYMTYECQ-VSGBNLITSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 606.2 |
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 |
MC1 | MSHR | Mouse | Melanocortin | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 5.54 | 5.54 | 5.54 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.72 | 7.5 | 8.28 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.18 | 7.18 | 7.18 | ChEMBL |