Compound Detail
CHEMBL3126188
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 | CHEMBL3126188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTSMDZBUBLYVKI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
5.26
ALogP
4
HBA
1
HBD
56.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 6.71 | 6.71 | 197.0 | 1 |
| Menin/Histone-lysine N-methyltransferase MLL CHEMBL2093861 | IC50 | 6.71 | 6.71 | 197.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 197.0 | nM | 6.71 | Inhibition of human His-tagged menin-biotinylated MLL (4 to 15) interaction afte... | 24472025 |
| Menin/Histone-lysine N-methyltransferase MLL | IC50 | = | 197.0 | nM | 6.71 | Inhibition of menin-MLL1 interaction (unknown origin) incubated for 1 hr by fluo... | 25987377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24472025 | 10.1021/jm401868d | Menin | 1 |
| 25987377 | 10.1016/j.bmcl.2015.04.026 | Menin/Histone-lysine N-methyltransferase MLL | 1 |
Data from ChEMBL 36 via Core Engine