CHEMBL235556
SMILES | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 |
InChIKey | WVDXXZITSATFRU-YWEHKCAJSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 11 |
Molecular weight (Da) | 540.3 |
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 |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 8.43 | 8.43 | 8.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |