Compound Detail
CHEMBL5171398
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5171398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKSVBMZEXVBOKL-FQEVSTJZSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
4.71
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.28
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.28 | 7.28 | 52.0 | 2 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.5 | 6.5 | 316.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 52.0 | nM | 7.28 | Displacement of [3H] Pentazocine from sigma 1 receptor in HEK293 cell membrane | 36283180 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 52.48 | nM | 7.28 | Displacement of [3H] Pentazocine from sigma 1 receptor in HEK293 cell membrane | 36283180 |
| D(4) dopamine receptor | IC50 | = | 316.23 | nM | 6.5 | Displacement of [3H]N-methylspiperone from human D4 receptor expressed in HEK293... | 35151866 |
| D(4) dopamine receptor | Ki | = | 319.3 | nM | 6.5 | Displacement of [3H]N-methylspiperone from human D4 receptor expressed in HEK293... | 35151866 |
| D(4) dopamine receptor | Ki | = | 319.0 | nM | 6.5 | Displacement of [3H]N-methylspiperone from D4 receptor in HEK293 cell membrane | 36283180 |
| D(4) dopamine receptor | Ki | = | 316.23 | nM | 6.5 | Displacement of [3H]N-methylspiperone from D4 receptor in HEK293 cell membrane | 36283180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35151866 | 10.1016/j.bmcl.2022.128615 | D(4) dopamine receptor | 2 |
| 36283180 | 10.1016/j.ejmech.2022.114840 | Sigma non-opioid intracellular receptor 1 | 2 |
| 36283180 | 10.1016/j.ejmech.2022.114840 | D(4) dopamine receptor | 2 |
| 35151866 | 10.1016/j.bmcl.2022.128615 | D(1A) dopamine receptor | 1 |
| 35151866 | 10.1016/j.bmcl.2022.128615 | D(2) dopamine receptor | 1 |
| 35151866 | 10.1016/j.bmcl.2022.128615 | D(3) dopamine receptor | 1 |
| 35151866 | 10.1016/j.bmcl.2022.128615 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine