Compound Detail
CHEMBL4741681
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Basic Information
| ChEMBL ID | CHEMBL4741681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URWBHDSOIAGHOU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.59
ALogP
6
HBA
1
HBD
92.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase 2A/WDR5 CHEMBL3883320 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase 2A/WDR5 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of MLL1-WDR5 interaction in human MV4-11 cells assessed as reduction ... | 31923859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31923859 | 10.1016/j.ejmech.2019.112027 | Histone-lysine N-methyltransferase 2A/WDR5 | 1 |
Data from ChEMBL 36 via Core Engine