CHEMBL228607
SMILES | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC |
InChIKey | QLLKZBYEHJGRHK-MEMLXQNLSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 538.2 |
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 | 6.17 | 6.17 | 6.17 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |