CHEMBL5171734
SMILES | Nc1nc(NCCNc2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1 |
InChIKey | VZXAKUVFURTEQJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 5 |
Rotatable bonds | 9 |
Molecular weight (Da) | 456.1 |
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 |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 4.74 | 4.74 | 4.74 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 4.63 | 4.63 | 4.63 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |