Compound Detail
CHEMBL5401805
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Basic Information
| ChEMBL ID | CHEMBL5401805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPHOPAPMJBSLFN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.88
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 CHEMBL3108645 | Kd | 6.46 | 5.965 | 349.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 | Kd | = | 349.0 | nM | 6.46 | Binding affinity to human biotinylated NSD2 (208 to 368 residues) expressed in E... | 36863225 |
| Histone-lysine N-methyltransferase NSD2 | Kd | = | 3400.0 | nM | 5.47 | Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation ... | 37578463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37578463 | 10.1021/acs.jmedchem.3c00948 | Histone-lysine N-methyltransferase NSD2 | 1 |
| 36863225 | 10.1016/j.ejmech.2023.115232 | Histone-lysine N-methyltransferase NSD2 | 1 |
Data from ChEMBL 36 via Core Engine