Compound Detail
CHEMBL110821
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Basic Information
| ChEMBL ID | CHEMBL110821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUEGBGWRCATKQZ-ZDUSSCGKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.50
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.25
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.25 | 5.165 | 5600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 6.0 | nM | 8.22 | Binding effinity for sigma receptor using 2 nM of [3H]DTG as radioligand, in mem... | 8230107 |
| D(2) dopamine receptor | Ki | = | 5600.0 | nM | 5.25 | Evaluated for binding towards dopamine D2-receptor using [3H]N-0437 as radioliga... | 8230107 |
| D(2) dopamine receptor | Ki | = | 8300.0 | nM | 5.08 | Binding towards Dopamine receptor D2 using [3H]spiperone from rat striatal membr... | 8230107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230107 | 10.1021/jm00073a021 | Rattus norvegicus | 13 |
| 8230107 | 10.1021/jm00073a021 | D(2) dopamine receptor | 4 |
| 8230107 | 10.1021/jm00073a021 | D(3) dopamine receptor | 1 |
| 8230107 | 10.1021/jm00073a021 | D(4) dopamine receptor | 1 |
| 8230107 | 10.1021/jm00073a021 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine