CHEMBL13754
SMILES | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 |
InChIKey | MTWNRUIQFUUTJU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 476.2 |
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 |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.42 | 9.42 | 9.42 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 9.6 | 9.6 | 9.6 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.43 | 8.43 | 8.43 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.71 | 8.71 | 8.71 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.33 | 9.33 | 9.33 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.58 | 8.58 | 8.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |