Compound Detail
CHEMBL6013737
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CC(=O)O[C@H]1CCC[C@@H]1C1(C2CCN(CC3CN(c4ccc(S(=O)(=O)c5ccnc(C)c5)cc4)C3)CC2)CN(C)Cc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL6013737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFIDNEUSWHCDJJ-CYQHNISFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
656.9
MW (Da)
5.49
ALogP
8
HBA
0
HBD
83.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 8.3 | 7.625 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 5.0 | nM | 8.3 | Fluorescence Polarization (FP) Competitive Binding Assay: A fluorescence polariz... | - |
| Menin | IC50 | = | 113.0 | nM | 6.95 | Fluorescence Polarization (FP) Competitive Binding Assay: A fluorescence polariz... | - |
Data from ChEMBL 36 via Core Engine