CHEMBL175934
SMILES | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC |
InChIKey | PUSDBRIZNFZIFK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 421.1 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 9.06 | 9.06 | 9.06 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 8.76 | 8.76 | 8.76 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.27 | 9.27 | 9.27 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.73 | 7.73 | 7.73 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.31 | 9.31 | 9.31 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.09 | 9.09 | 9.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |