{3-[2-Chloro-thioxanthenylidene]-propyl}-methyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
SMILES | CN(CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=C(C=C4)OCCCN5CCCCC5 |
InChIKey | DSRXHDAICZGTCK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 532.2 |
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 |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.61 | 6.61 | 6.61 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.28 | 7.28 | 7.28 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.3 | 7.3 | 7.3 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 6.53 | 6.53 | 6.53 | PDSP Ki database |
H3 | HRH3 | Human | Histamine | A | pKi | 8.81 | 8.81 | 8.81 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.53 | 6.53 | 6.53 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |