CHEMBL98088
SMILES | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O |
InChIKey | BNCCDXYOEGWOOI-YTMVLYRLSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 6 |
Rotatable bonds | 13 |
Molecular weight (Da) | 610.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.51 | 7.51 | 7.51 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.28 | 6.28 | 6.28 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 4.7 | 4.7 | 4.7 | ChEMBL |