CHEMBL101521
SMILES | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)CC2)ccc1O |
InChIKey | LXAPTQSVPDBLJM-GMAHTHKFSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 7 |
Rotatable bonds | 13 |
Molecular weight (Da) | 578.2 |
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 |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.24 | 6.24 | 6.24 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |