CHEMBL4176490
SMILES | Clc1cncc(NCCCN2CCN(c3ccccc3)CC2)n1 |
InChIKey | RUCWOVBWUVMXEY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 331.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |