Compound Detail
CHEMBL5803279
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C=C1C[C@H]2CC[C@@H]1N[C@@H]2C(=O)N1CCC2(CC1)CN(c1ncncc1Oc1ccc(F)cc1C(=O)N(C(C)C)C(C)C)C2
Basic Information
| ChEMBL ID | CHEMBL5803279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOZUAULLLIHQBP-IXLXJOPFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
590.7
MW (Da)
4.79
ALogP
7
HBA
1
HBD
90.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Menin/Histone-lysine N-methyltransferase MLL CHEMBL2093861 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 7.9 | nM | 8.1 | Test for Evaluating the Inhibition of the Menin-MLL Binding: Menin1-615 wherein ... | - |
| Menin/Histone-lysine N-methyltransferase MLL | IC50 | = | 7.9 | nM | 8.1 | Inbinition of the Menin-MLL Binding: Menin1-615 wherein 6×His tag and HA tag are... | - |
Data from ChEMBL 36 via Core Engine