CHEMBL390473
SMILES | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC |
InChIKey | AEJCTJSNUNXYQL-YHBQERECSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 534.3 |
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 | 5.83 | 5.83 | 5.83 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.37 | 7.37 | 7.37 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |