CHEMBL228390
SMILES | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 |
InChIKey | PPAIEDLGYFCKEB-MEMLXQNLSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 554.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.04 | 7.04 | 7.04 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.66 | 8.66 | 8.66 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.64 | 7.64 | 7.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |