CHEMBL51433
SMILES | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 |
InChIKey | ZFDWAPWETDMDSZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 380.2 |
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 |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.25 | 7.25 | 7.25 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.74 | 5.74 | 5.74 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.88 | 7.19 | 7.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |