Compound Detail
CHEMBL5412847
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Basic Information
| ChEMBL ID | CHEMBL5412847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVKJKHAFGGSNKI-SSDOTTSWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.2
MW (Da)
2.26
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 CHEMBL3108645 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| KMS-11 CHEMBL4296454 | IC50 | 5.22 | 5.22 | 6070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase NSD2 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of recombinant human NSD2 (941 to 1240 residues) using SAM as substra... | 36642961 |
| KMS-11 | IC50 | = | 6070.0 | nM | 5.22 | Antiproliferative activity against human KMS-11 cells assessed as inhibition of ... | 36642961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36642961 | 10.1021/acs.jmedchem.2c01920 | Histone-lysine N-methyltransferase NSD2 | 1 |
| 36642961 | 10.1021/acs.jmedchem.2c01920 | KMS-11 | 1 |
| 36642961 | 10.1021/acs.jmedchem.2c01920 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine