CHEMBL393471
SMILES | C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 |
InChIKey | HJVSSDRCWQFUQC-ACJLOTCBSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 9 |
Molecular weight (Da) | 415.1 |
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 | 8.4 | 8.4 | 8.4 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.4 | 6.4 | 6.4 | ChEMBL |