Compound Detail
CHEMBL357130
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Basic Information
| ChEMBL ID | CHEMBL357130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDIJUWFVRXORPJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.85
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 7.6 | 7.36 | 25.0 | 2 |
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 5.25 | 5.235 | 5630.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 25.0 | nM | 7.6 | Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor alpha expre... | 8941384 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 76.0 | nM | 7.12 | Compound was tested for binding affinity against cloned human 5-hydroxytryptamin... | 8941384 |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 5630.0 | nM | 5.25 | Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells a... | 20965726 |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 5960.0 | nM | 5.22 | Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells a... | 20965726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941384 | 10.1021/jm9604890 | 5-hydroxytryptamine receptor 1D | 2 |
| 20965726 | 10.1016/j.bmcl.2010.09.099 | Transient receptor potential cation channel subfamily M member 8 | 2 |
| 8941384 | 10.1021/jm9604890 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine