Compound Detail
CHEMBL69985
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Basic Information
| ChEMBL ID | CHEMBL69985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFENTJXFRAVXHY-CQSZACIVSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
3.81
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.06 | 8.06 | 8.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.58 | 7.14 | 26.0 | 4 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.52 | 7.195 | 30.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 8.62 | nM | 8.06 | Displacement of [3H]raclopride from Dopamine receptor D3 | 8893836 |
| D(2) dopamine receptor | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]quinpirole from human dopamine D2A receptors expressed in Lt... | 10465538 |
| D(2) dopamine receptor | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]quinpirole from Dopamine receptor D2 | 8893836 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 30.2 | nM | 7.52 | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor | 8893836 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 136.0 | nM | 6.87 | Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) recepto... | 8831769 |
| D(2) dopamine receptor | Ki | = | 201.0 | nM | 6.7 | Displacement of [3H]raclopride from human dopamine D2A receptors expressed in Lt... | 10465538 |
| D(2) dopamine receptor | Ki | = | 201.0 | nM | 6.7 | Inhibition of [3H]raclopride binding to Dopamine receptor D2 | 8893836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10465538 | 10.1016/s0960-894x(99)00345-5 | D(2) dopamine receptor | 6 |
| 8893836 | 10.1021/jm960350p | D(2) dopamine receptor | 5 |
| 8893836 | 10.1021/jm960350p | D(3) dopamine receptor | 4 |
| 8893836 | 10.1021/jm960350p | 5-hydroxytryptamine receptor 1A | 1 |
| 8831769 | 10.1021/jm960329o | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine