Compound Detail
CHEMBL5416709
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O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(NC(=O)c2ccc(CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C3CC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5416709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXTDBIVBSAFNBJ-PLCURSASSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1238.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 CHEMBL3108645 | Kd | 7.34 | 7.34 | 46.0 | 1 |
| Histone-lysine N-methyltransferase NSD3 CHEMBL3108646 | Kd | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 | Kd | = | 46.0 | nM | 7.34 | Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation ... | 37578463 |
| Histone-lysine N-methyltransferase NSD3 | Kd | = | 46.0 | nM | 7.34 | Binding affinity to human recombinant NSD3 PWWP1 domain assessed as dissociation... | 37578463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37578463 | 10.1021/acs.jmedchem.3c00948 | Histone-lysine N-methyltransferase NSD2 | 1 |
| 37578463 | 10.1021/acs.jmedchem.3c00948 | Histone-lysine N-methyltransferase NSD3 | 1 |
Data from ChEMBL 36 via Core Engine