CHEMBL198431
SMILES | COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC |
InChIKey | KBOJVHFVCIFMSG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 14 |
Molecular weight (Da) | 453.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.63 | 7.63 | 7.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |