Compound Detail
CHEMBL5931080
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CCc1nccn1CC(c1ccccc1)(C1CCN(CC2CN(c3ccc(C#N)cc3)C2)CC1)[C@H]1CCC[C@@H]1OC(=O)NC
Basic Information
| ChEMBL ID | CHEMBL5931080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSOWOWNLUVRUIU-JTXQMZLCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
594.8
MW (Da)
5.63
ALogP
7
HBA
1
HBD
86.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
10
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