Compound Detail
CHEMBL68573
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Basic Information
| ChEMBL ID | CHEMBL68573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQGWTXXZVBZBPH-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.67
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.2 | 7.77 | 6.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 6.35 | nM | 8.2 | Displacement of [3H]quinpirole from human dopamine D2A receptors expressed in Lt... | 10465538 |
| D(2) dopamine receptor | Ki | = | 46.0 | nM | 7.34 | Displacement of [3H]raclopride from human dopamine D2A receptors expressed in Lt... | 10465538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10465538 | 10.1016/s0960-894x(99)00345-5 | D(2) dopamine receptor | 10 |
Data from ChEMBL 36 via Core Engine