CHEMBL73392
SMILES | Brc1c(NC2=NCCS2)ccc2nccnc12 |
InChIKey | KSVHJUZGYJOCLG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 308.0 |
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 |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 4.67 | 4.67 | 4.67 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 4.22 | 4.22 | 4.22 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 4.56 | 4.56 | 4.56 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 4.99 | 4.99 | 4.99 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 4.76 | 4.76 | 4.76 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 4.55 | 4.55 | 4.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 5.56 | 5.56 | 5.56 | ChEMBL |