Compound Detail
CHEMBL141485
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Basic Information
| ChEMBL ID | CHEMBL141485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJOFOTULUMAAAE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
3.27
ALogP
7
HBA
2
HBD
74.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2096671 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| D(2) dopamine receptor CHEMBL3427 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice. | 8941382 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 2.3 | nM | 8.64 | Inhibitory activity against serotonin 5-hydroxytryptamine 2 receptor from mice. | 8941382 |
| D(2) dopamine receptor | IC50 | = | 11.0 | nM | 7.96 | Inhibitory activity against Dopamine receptor D2 from mice | 8941382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941382 | 10.1021/jm9603375 | Mus musculus | 2 |
| 8941382 | 10.1021/jm9603375 | D(2) dopamine receptor | 1 |
| 8941382 | 10.1021/jm9603375 | Serotonin 2 (5-HT2) receptor | 1 |
| 8941382 | 10.1021/jm9603375 | 5-hydroxytryptamine receptor 1A | 1 |
| 8941382 | 10.1021/jm9603375 | Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine