Compound Detail
CHEMBL5770979
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C/C=C/C(=O)Nc1cccc(S(=O)(=O)c2ccc(N3CC(CN4CCC([C@@](C#N)(c5cccc(F)c5)[C@H]5CCC[C@@H]5NC(=O)OC)CC4)C3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL5770979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDEMTHGWWWXCRV-KFSRZAEUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
727.9
MW (Da)
6.31
ALogP
8
HBA
2
HBD
131.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 4.0 | nM | 8.4 | Menin Binding Affinity: A fluorescence polarization (FP) competitive binding ass... | - |
Data from ChEMBL 36 via Core Engine