CHEMBL487682
SMILES | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O |
InChIKey | NCHDMAKDMUDOFA-DEOSSOPVSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 433.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 |
β3 | ADRB3 | Dog | Adrenoceptors | A | pEC50 | 8.49 | 8.49 | 8.49 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 10.18 | 10.18 | 10.18 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.5 | 5.5 | 5.5 | ChEMBL |