CHEMBL459373
SMILES | CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1 |
InChIKey | UCQNMJXTWOYVNH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 11 |
Molecular weight (Da) | 535.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.63 | 6.63 | 6.63 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.63 | 6.63 | 6.63 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.39 | 7.39 | 7.39 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.3 | 7.3 | 7.3 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.82 | 6.82 | 6.82 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 6.69 | 6.69 | 6.69 | PDSP Ki database |
H3 | HRH3 | Human | Histamine | A | pKi | 8.92 | 8.92 | 8.92 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |