Compound Detail
CHEMBL5290993
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Basic Information
| ChEMBL ID | CHEMBL5290993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMDMWQYWHACQHO-ZQIUZPCESA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.00
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.37
EC50 1 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 9.74 | 9.74 | 0.2 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.37 | 8.37 | 4.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 0.18 | nM | 9.74 | Agonist activity at D4R (unknown origin) by camp reporter assay | 33422983 |
| D(4) dopamine receptor | Ki | = | 4.3 | nM | 8.37 | Displacement of [3H]-methylspiperone from D4 (unknown origin) receptor expressed... | 33422983 |
| D(4) dopamine receptor | Ki | = | 4.3 | nM | 8.37 | Binding affinity to dopamine D4 receptor (unknown origin) assessed as inhibition... | 37450764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(4) dopamine receptor | 2 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(2) dopamine receptor | 1 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(3) dopamine receptor | 1 |
| 37450764 | 10.1021/acs.jmedchem.3c00537 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine