CHEMBL584606
SMILES | C=Cc1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N |
InChIKey | SSHKNPUBWWFZGC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 367.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 6.99 | 6.99 | 6.99 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.25 | 7.25 | 7.25 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |