Compound Detail
CHEMBL5938942
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CC(=O)N[C@H]1CCC[C@@H]1C1(C2CCN(CC3CN(c4ccc(S(=O)(=O)c5cnn(C)c5)cc4)C3)CC2)CNCc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5938942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBCHFACNIBEZDD-IEKJTBOOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
630.9
MW (Da)
3.75
ALogP
8
HBA
2
HBD
99.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
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 | Fluorescence Polarization (FP) Competitive Binding Assay: A fluorescence polariz... | - |
Data from ChEMBL 36 via Core Engine