CHEMBL398929
SMILES | COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F |
InChIKey | UQIQXCRYYCAMIP-WDYNHAJCSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 584.3 |
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 |
MC4 | MC4R | Mouse | Melanocortin | A | pKi | 9.22 | 9.22 | 9.22 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pKi | 5.41 | 5.41 | 5.41 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.27 | 7.79 | 9.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.32 | 7.32 | 7.32 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.77 | 6.77 | 6.77 | ChEMBL |