Compound Detail
CHEMBL5573257
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Cc1[nH]cnc1CNc1cc(C(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)ccc1F
Basic Information
| ChEMBL ID | CHEMBL5573257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXLINUKVODZXEA-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
2.80
ALogP
6
HBA
4
HBD
150.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase 2A/WDR5 CHEMBL3883320 | IC50 | 6.62 | 6.62 | 239.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase 2A/WDR5 | IC50 | = | 239.2 | nM | 6.62 | Inhibition of MLL1/WDR5 (unknown origin) protein-protein interaction incubated f... | 38166388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38166388 | 10.1021/acs.jmedchem.3c01463 | Histone-lysine N-methyltransferase 2A/WDR5 | 1 |
Data from ChEMBL 36 via Core Engine