Compound Detail
CHEMBL5749051
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COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)c4cccc(NC(=O)/C=C/CN5CCOCC5)c4)cc3)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL5749051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAEWAWGUQILUTK-DVXYBWKSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
813.0
MW (Da)
5.62
ALogP
10
HBA
2
HBD
144.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 5.0 | nM | 8.3 | Menin Binding Affinity: A fluorescence polarization (FP) competitive binding ass... | - |
Data from ChEMBL 36 via Core Engine