Compound Detail
CHEMBL5559575
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Nc1ncnc2c1c(-c1ccc(F)cc1)cn2C1CCN(CC2CN(c3ccc(S(=O)(=O)c4ccncc4)cc3)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL5559575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKIBAYDJDZFTQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
597.7
MW (Da)
4.82
ALogP
9
HBA
1
HBD
110.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Menin CHEMBL1615381 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 1220.0 | nM | 5.91 | Binding affinity to menin (unknown origin) incubated for 1 hr by fluorescence po... | 38367493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38367493 | 10.1016/j.ejmech.2024.116226 | Menin | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | MV4-11 | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine