Compound Detail
CHEMBL1288796
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Basic Information
| ChEMBL ID | CHEMBL1288796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVSVCLNPECDDKD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
246.7
MW (Da)
4.24
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase KMT5C CHEMBL2321644 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Histone-lysine N-methyltransferase KMT5B CHEMBL2321645 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase KMT5C | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of human SUV420H2 using Biotin-tagged H4K20me1 and [3H-SAM] as substr... | 28114273 |
| Histone-lysine N-methyltransferase KMT5B | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of recombinant human 6His-(Tev)-G-SUV420H1 (69 to 335 residues) using... | 28114273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20797807 | 10.1016/j.ejmech.2010.07.054 | Major prion protein | 3 |
| 28114273 | 10.1038/nchembio.2282 | Histone-lysine N-methyltransferase KMT5B | 1 |
| 28114273 | 10.1038/nchembio.2282 | Histone-lysine N-methyltransferase KMT5C | 1 |
Data from ChEMBL 36 via Core Engine