Compound Detail
CHEMBL10184
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Basic Information
| ChEMBL ID | CHEMBL10184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDVPIZHFGBVEBT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.89
ALogP
4
HBA
1
HBD
73.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase 2A/WDR5 CHEMBL3883320 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Potassium-transporting ATPase CHEMBL2095228 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase 2A/WDR5 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of MLL1-WDR5 interaction in human MV4-11 cells assessed as reduction ... | 31923859 |
| Potassium-transporting ATPase | IC50 | = | 20000.0 | nM | 4.7 | Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase | 1848293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1848293 | 10.1021/jm00107a026 | Oryctolagus cuniculus | 1 |
| 1848293 | 10.1021/jm00107a026 | Potassium-transporting ATPase | 1 |
| 31923859 | 10.1016/j.ejmech.2019.112027 | Histone-lysine N-methyltransferase 2A/WDR5 | 1 |
Data from ChEMBL 36 via Core Engine