Compound Detail
CHEMBL5440868
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C[C@@](O)(C(=O)NC12CC(NC3=C(Cl)C(=O)c4cccnc4C3=O)(C1)C2)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5440868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKHWLIIGJCKEDM-KLAILNCOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.8
MW (Da)
1.61
ALogP
6
HBA
3
HBD
108.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 CHEMBL3108645 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of recombinant human NSD2 (941 to 1240 residues) using SAM as substra... | 36642961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36642961 | 10.1021/acs.jmedchem.2c01920 | Histone-lysine N-methyltransferase NSD2 | 1 |
Data from ChEMBL 36 via Core Engine