Compound Detail
CHEMBL5289845
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Basic Information
| ChEMBL ID | CHEMBL5289845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPKYJQPHFTVWOU-ZDUSSCGKSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.67
ALogP
4
HBA
3
HBD
65.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.67
Ki 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 6.67 | 6.67 | 213.0 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.86 | 5.86 | 1380.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 213.0 | nM | 6.67 | Agonist activity at D4R (unknown origin) by camp reporter assay | 33422983 |
| D(4) dopamine receptor | EC50 | = | 213.0 | nM | 6.67 | Agonist activity at DRD4 expressed in human HEK293T cells assessed as cAMP accum... | 29051383 |
| D(4) dopamine receptor | Ki | = | 1380.0 | nM | 5.86 | Displacement of [3H]-methylspiperone from D4 (unknown origin) receptor expressed... | 33422983 |
| D(4) dopamine receptor | Ki | = | 1380.0 | nM | 5.86 | Displacement of 3H-N-Methylspiperone from DRD4 in human HEK293T cells membrane a... | 29051383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(4) dopamine receptor | 2 |
| 29051383 | 10.1126/science.aan5468 | 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 |
| 29051383 | 10.1126/science.aan5468 | Unchecked | 1 |
| 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