CHEMBL390129
SMILES | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC |
InChIKey | ACYCBNFGNBHQEP-ZRZAMGCNSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 516.3 |
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 | 6.82 | 6.83 | 6.84 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.77 | 8.94 | 9.11 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.66 | 8.7 | 8.74 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.78 | 6.81 | 6.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |