Compound Detail
CHEMBL1382868
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Basic Information
| ChEMBL ID | CHEMBL1382868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGMSTNYJYPSLHN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.75
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2111332 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| 5-hydroxytryptamine receptor 3A/3E CHEMBL4296087 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
| 5-hydroxytryptamine receptor 3A/3C CHEMBL4296091 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 430.0 | nM | 6.37 | Inhibition of human 5-HT3AB receptor expressed in transient A201 cells after 30 ... | 28606760 |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 620.0 | nM | 6.21 | Inhibition of human 5-HT3A receptor expressed in transient A201 cells after 30 m... | 28606760 |
| 5-hydroxytryptamine receptor 3A/3E | IC50 | = | 710.0 | nM | 6.15 | Inhibition of human 5-HT3AE receptor expressed in transient A201 cells after 30 ... | 28606760 |
| 5-hydroxytryptamine receptor 3A/3C | IC50 | = | 840.0 | nM | 6.08 | Inhibition of human 5-HT3AC receptor expressed in transient A201 cells after 30 ... | 28606760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28606760 | 10.1016/j.bmcl.2017.04.073 | 5-hydroxytryptamine receptor 3A/3E | 1 |
| 28606760 | 10.1016/j.bmcl.2017.04.073 | 5-hydroxytryptamine receptor 3A/3C | 1 |
| 28606760 | 10.1016/j.bmcl.2017.04.073 | Serotonin 3 (5-HT3) receptor | 1 |
| 28606760 | 10.1016/j.bmcl.2017.04.073 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine