Compound Detail
CHEMBL5277316
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
Clc1ccc2c(NCCN3CCN(CCCCCCCN4CCN(CCNc5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1
Basic Information
| ChEMBL ID | CHEMBL5277316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANCOXZQAZPFGAR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
677.8
MW (Da)
6.80
ALogP
8
HBA
2
HBD
62.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin/Histone-lysine N-methyltransferase MLL CHEMBL2093861 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin/Histone-lysine N-methyltransferase MLL | IC50 | = | 4.7 | nM | 8.33 | Inhibition of human Menin to MLL protein-protein interaction | 34726905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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