CHEMBL366706
SMILES | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1 |
InChIKey | JSSBJZNAQLSMID-CZNDPXEESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 641.3 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pKi | 5.22 | 5.22 | 5.22 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 7.92 | 7.95 | 7.97 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.45 | 6.5 | 6.54 | ChEMBL |