CHEMBL2037430
SMILES | Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1 |
InChIKey | KLXKCCCIYMYATJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 371.1 |
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 |
D4 | DRD4 | Rat | Dopamine | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |