Compound Detail
CHEMBL2024519
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Basic Information
| ChEMBL ID | CHEMBL2024519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLYLEOXSUSFWBW-WGSAOQKQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
5.12
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.62
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | IC50 | 9.21 | 9.21 | 0.6 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.37 | 7.37 | 42.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | IC50 | = | 0.62 | nM | 9.21 | Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expresse... | 22537450 |
| D(2) dopamine receptor | IC50 | = | 42.9 | nM | 7.37 | Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membrane... | 22537450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22537450 | 10.1016/j.bmcl.2012.03.104 | D(3) dopamine receptor | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | D(2) dopamine receptor | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine