DC 128.1
SMILES | C(CC1=CC=CC=C1)N2[C@@H]3CCC[C@](CC2)([C@@H]3/C=C\C)C=4C=C(C=CC4)O |
InChIKey | XGHUWVMRNBCUKH-FMNMTASSSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 361.2 |
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 |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKd | 6.32 | 6.32 | 6.32 | ChEMBL |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKd | 4.27 | 4.27 | 4.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |