Compound Detail
CHEMBL393622
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Basic Information
| ChEMBL ID | CHEMBL393622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDALQZYWDCMROB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.76
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.03 | 7.03 | 92.5 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.03 | 7.03 | 93.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 93.76 | nM | 7.03 | Displacement of [3H]spiperone from dopamine D2 receptor in rat brain | 17869521 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 92.47 | nM | 7.03 | Displacement of [3H]ketanserin from 5HT2A receptor in rat brain | 17869521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17869521 | 10.1016/j.bmc.2007.07.018 | D(2) dopamine receptor | 1 |
| 17869521 | 10.1016/j.bmc.2007.07.018 | 5-hydroxytryptamine receptor 2A | 1 |
| 17869521 | 10.1016/j.bmc.2007.07.018 | Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) | 1 |
Data from ChEMBL 36 via Core Engine