Compound Detail
CHEMBL137309
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Basic Information
| ChEMBL ID | CHEMBL137309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTULAWDUXVEOJC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
5.27
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.37 | 10.37 | 0.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.043 | nM | 10.37 | Displacement of [3H]spiperone from dopamine receptor D2 | 1531364 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 4.4 | nM | 8.36 | The compound was tested in vitro for binding affinity towards 5-hydroxytryptamin... | 1531364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1531364 | 10.1021/jm00081a002 | D(2) dopamine receptor | 1 |
| 1531364 | 10.1021/jm00081a002 | Serotonin 2 (5-HT2) receptor | 1 |
| 1531364 | 10.1021/jm00081a002 | Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine