CHEMBL1209792
SMILES | COCC(C)N1C[C@@H](C(=O)N2CCC3(CC2)O[C@H](C(C)(C)C#N)c2cc(C)c(Cl)cc23)[C@H](c2ccc(F)cc2F)C1 |
InChIKey | DSVBYGCIHQONRH-SPQMHFOWSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 585.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.35 | 7.35 | 7.35 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.13 | 7.13 | 7.13 | ChEMBL |