Compound Detail
CHEMBL5838994
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C=CC(=O)N1CC(S(=O)(=O)c2ccc(N3CC(CN4CCC([C@](C#N)(c5cccc(F)c5)[C@H]5CCC[C@@H]5OC(=O)NC)CC4)C3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL5838994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCHRNEMAHYDBHW-VLSLJKOQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
677.8
MW (Da)
4.13
ALogP
8
HBA
1
HBD
123.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 6.43 | 6.43 | 374.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 374.0 | nM | 6.43 | Menin Binding Affinity: A fluorescence polarization (FP) competitive binding ass... | - |
Data from ChEMBL 36 via Core Engine