CHEMBL439560
SMILES | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 |
InChIKey | GWQJQMUYAJRYAV-AZGAKELHSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 564.2 |
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 |
MC4 | MC4R | Rat | Melanocortin | A | pKi | 8.04 | 8.04 | 8.04 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ghrelin | GHSR | Human | Ghrelin | A | pEC50 | 5.39 | 5.39 | 5.39 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.29 | 6.29 | 6.29 | ChEMBL |