Compound Detail
CHEMBL5422710
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Nc1ncnc2c1ncn2Cc1cc(-c2ccc(F)c(F)c2)ncc1N1CCC[C@](N)(c2ccccn2)C1
Basic Information
| ChEMBL ID | CHEMBL5422710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXAXMDGEXGUYBN-HHHXNRCGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
3.65
ALogP
9
HBA
2
HBD
124.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 CHEMBL3108645 | IC50 | 8.26 | 7.8 | 5.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 | IC50 | = | 5.5 | nM | 8.26 | LC-MS/MS-Based NSD2 Enzymatic Assay: This assay employed LC-MS/MS technology to ... | - |
| Histone-lysine N-methyltransferase NSD2 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of NSD2 in human CGTH-W-1 cells assessed as reduction in H3K36me2 lev... | 36863225 |
| Histone-lysine N-methyltransferase NSD2 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of NSD2 in human KMS-11-Par cells assessed as reduction in H3K36me2 l... | 36863225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36863225 | 10.1016/j.ejmech.2023.115232 | Histone-lysine N-methyltransferase NSD2 | 2 |
Data from ChEMBL 36 via Core Engine