Compound Detail
CHEMBL4159037
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Basic Information
| ChEMBL ID | CHEMBL4159037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBQNODITDHOLHW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.9
MW (Da)
5.05
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 2 CHEMBL1250402 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 2 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human TRPM2 expressed in HEK293 cells assessed as reduction in ADP... | 29723786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29723786 | 10.1016/j.ejmech.2018.04.045 | Transient receptor potential cation channel subfamily M member 2 | 3 |
| 29723786 | 10.1016/j.ejmech.2018.04.045 | Transient receptor potential cation channel subfamily M member 8 | 2 |
Data from ChEMBL 36 via Core Engine