CHEMBL3139683
SMILES | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 |
InChIKey | CMKZQSHWRVZOOY-PMERELPUSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 4 |
Rotatable bonds | 18 |
Molecular weight (Da) | 547.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.1 | 6.1 | 6.1 | ChEMBL |