Compound Detail
CHEMBL5426481
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Basic Information
| ChEMBL ID | CHEMBL5426481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKDOASHONDCKDU-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
4.49
ALogP
5
HBA
0
HBD
32.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.38
Ki 3 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 6.38 | 5.675 | 414.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.08 | 6.08 | 830.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 4.9 | nM | 8.31 | Displacement of [3H]N-methylspiperone from human D4 receptor stably expressed in... | 37646374 |
| D(3) dopamine receptor | Ki | = | 104.0 | nM | 6.98 | Displacement of [3H]N-methylspiperone from human D3 receptor stably expressed in... | 37646374 |
| D(4) dopamine receptor | IC50 | = | 414.0 | nM | 6.38 | Antagonist activity at human D4 receptor stably expressed in CHO-K1 cells assess... | 37646374 |
| D(2) dopamine receptor | Ki | = | 830.0 | nM | 6.08 | Displacement of [3H]N-methylspiperone from human D2 receptor stably expressed in... | 37646374 |
| D(4) dopamine receptor | IC50 | = | 10800.0 | nM | 4.97 | Antagonist activity at human D4 receptor stably expressed in CHO-K1 cells assess... | 37646374 |
| D(2) dopamine receptor | IC50 | = | 23000.0 | nM | 4.64 | Antagonist activity at human D2 receptor stably expressed in CHO-K1 cells assess... | 37646374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37646374 | 10.1021/acs.jmedchem.3c00734 | D(4) dopamine receptor | 9 |
| 37646374 | 10.1021/acs.jmedchem.3c00734 | D(2) dopamine receptor | 9 |
| 37646374 | 10.1021/acs.jmedchem.3c00734 | Unchecked | 8 |
| 37646374 | 10.1021/acs.jmedchem.3c00734 | D(3) dopamine receptor | 5 |
Data from ChEMBL 36 via Core Engine