BGC201531
SMILES | COc1ccc(nc1)c1ccc(cc1)OCC1CC(OC1C)C(=O)NS(=O)(=O)c1ccccc1C |
InChIKey | BGXAOTTWXYPIQN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 496.2 |
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 |
MT2 | MTR1B | Human | Melatonin | A | pKi | 9.48 | 9.52 | 9.6 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 7.39 | 7.44 | 7.57 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MT2 | MTR1B | Human | Melatonin | A | pEC50 | 9.14 | 9.14 | 9.14 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pEC50 | 7.43 | 7.43 | 7.43 | ChEMBL |