Compound Detail
CHEMBL5964939
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CNC(=O)O[C@H]1CCC[C@@H]1C(Cn1ccnc1C)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)c4cnn(C)c4)cc3)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL5964939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJJHIHFEUAWTMY-MROBMTMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
717.9
MW (Da)
5.21
ALogP
10
HBA
1
HBD
114.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 3.0 | nM | 8.52 | Fluorescence Polarization (FP) Competitive Binding Assay: A fluorescence polariz... | - |
Data from ChEMBL 36 via Core Engine