CHEMBL3810401
SMILES | COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 |
InChIKey | RBCJURPZFKORMG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 459.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 | Human | Adrenoceptors | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.5 | 7.5 | 7.5 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 7.81 | 7.81 | 7.81 | ChEMBL |