Compound Detail
CHEMBL4216333
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 | CHEMBL4216333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROBJDFLYWHJESD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.0
MW (Da)
5.91
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.08
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin/Histone-lysine N-methyltransferase MLL CHEMBL2093861 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
| Menin CHEMBL1615381 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Menin CHEMBL1615381 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin/Histone-lysine N-methyltransferase MLL | IC50 | = | 0.83 | nM | 9.08 | Inhibition of human Menin to MLL protein-protein interaction | 34726905 |
| Menin | Ki | = | 80.0 | nM | 7.1 | Displacement of FITC-MBM1 from full length human menin measured after 2 hrs by f... | 29254892 |
| Menin | IC50 | = | 830.0 | nM | 6.08 | Displacement of FITC-MBM1 from full length human menin measured after 2 hrs by f... | 29254892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29254892 | 10.1016/j.bmc.2017.11.045 | Menin | 2 |
| 34726905 | 10.1021/acs.jmedchem.1c00872 | MV4-11 | 1 |
| 34726905 | 10.1021/acs.jmedchem.1c00872 | MOLM-13 | 1 |
| 34726905 | 10.1021/acs.jmedchem.1c00872 | Menin/Histone-lysine N-methyltransferase MLL | 1 |
Data from ChEMBL 36 via Core Engine