CHEMBL27013
SMILES | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC |
InChIKey | ILQHFOKYOSAZBJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 11 |
Molecular weight (Da) | 441.2 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 9.19 | 9.19 | 9.19 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 9.84 | 9.84 | 9.84 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.96 | 9.96 | 9.96 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 9.04 | 9.04 | 9.04 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.71 | 9.71 | 9.71 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.78 | 9.78 | 9.78 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |