Compound Detail
CHEMBL1401388
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 | CHEMBL1401388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNSXQGKLDTVOLP-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.6
MW (Da)
3.57
ALogP
7
HBA
0
HBD
44.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 5.92 | 5.77 | 1200.0 | 4 |
| Menin/Histone-lysine N-methyltransferase MLL CHEMBL2093861 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 77.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 1200.0 | nM | 5.92 | Homogeneous Time-Resolve Fluorescence (HTRF) Assay: One potential limitation of ... | - |
| Menin | IC50 | = | 1900.0 | nM | 5.72 | Fluorescence Polarization Assay: Assays effective in monitoring the inhibition o... | - |
| Menin | IC50 | = | 1900.0 | nM | 5.72 | NMR Spectroscopy Assay: NMR spectroscopy validation of lead compounds. In embodi... | - |
| Menin | IC50 | = | 1900.0 | nM | 5.72 | Displacement of FITC-MBM1 from menin (unknown origin) measured after 1 hr by flu... | 29254892 |
| Menin/Histone-lysine N-methyltransferase MLL | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human menin/MLL protein-protein interaction by competition based f... | 36528996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29254892 | 10.1016/j.bmc.2017.11.045 | Menin | 1 |
| 36528996 | 10.1016/j.ejmech.2022.115028 | Menin/Histone-lysine N-methyltransferase MLL | 1 |
| 36528996 | 10.1016/j.ejmech.2022.115028 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine