Compound Detail
CHEMBL5722985
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Basic Information
| ChEMBL ID | CHEMBL5722985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZKUHPROPBOLIW-AWEZNQCLSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
2.74
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.17
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 7.17 | 7.17 | 68.3 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 68.3 | nM | 7.17 | Agonist activity at DRD4 expressed in human HEK293T cells assessed as cAMP accum... | 29051383 |
| D(4) dopamine receptor | Ki | = | 80.0 | nM | 7.1 | Displacement of 3H-N-Methylspiperone from DRD4 in human HEK293T cells membrane a... | 29051383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29051383 | 10.1126/science.aan5468 | D(4) dopamine receptor | 2 |
| 29051383 | 10.1126/science.aan5468 | Unchecked | 2 |
| 29051383 | 10.1126/science.aan5468 | D(2) dopamine receptor | 1 |
| 29051383 | 10.1126/science.aan5468 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine