Compound Detail
CHEMBL5272633
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Cc1c(CN2CCC3(CC2)CN(c2ncnc4[nH]c(CC(F)(F)F)cc24)C3)ccc2c1cc(C#N)n2CC(N)=O
Basic Information
| ChEMBL ID | CHEMBL5272633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQSKOHMINKNMTI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
3.79
ALogP
7
HBA
2
HBD
119.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin/Histone-lysine N-methyltransferase MLL CHEMBL2093861 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin/Histone-lysine N-methyltransferase MLL | IC50 | = | 8.0 | nM | 8.1 | 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