LY377604
SMILES | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |
InChIKey | RBSGUQYXRDKPAE-QFIPXVFZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 524.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 10.64 | 10.64 | 10.64 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 10.92 | 10.92 | 10.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.62 | 8.62 | 8.62 | ChEMBL |