CHEMBL341665
SMILES | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC |
InChIKey | JSMDVVKGKQQXSH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 13 |
Molecular weight (Da) | 508.3 |
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 | 8.26 | 8.26 | 8.26 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 7.43 | 7.43 | 7.43 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.78 | 9.78 | 9.78 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.26 | 7.26 | 7.26 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.61 | 9.61 | 9.61 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.71 | 5.71 | 5.71 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.49 | 9.49 | 9.49 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |