Compound Detail
CHEMBL4176916
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4176916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMTOXAAOXBALFX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
5.15
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 2 CHEMBL1250402 | IC50 | 5.43 | 5.43 | 3700.0 | 2 |
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 | = | 3700.0 | nM | 5.43 | Inhibition of human TRPM2 expressed in HEK293 cells assessed as reduction in ADP... | 29723786 |
| Transient receptor potential cation channel subfamily M member 2 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR... | 33784097 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29723786 | 10.1016/j.ejmech.2018.04.045 | Transient receptor potential cation channel subfamily M member 2 | 5 |
| 29723786 | 10.1016/j.ejmech.2018.04.045 | Transient receptor potential cation channel subfamily M member 8 | 2 |
| 33784097 | 10.1021/acs.jmedchem.0c02129 | Transient receptor potential cation channel subfamily M member 2 | 2 |
Data from ChEMBL 36 via Core Engine