Compound Detail
CHEMBL4791952
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Basic Information
| ChEMBL ID | CHEMBL4791952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTHRXIUTSUVNPH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.35
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A CHEMBL1795176 | IC50 | 6.09 | 5.625 | 804.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-lysine methyltransferase KMT5A | IC50 | = | 804.0 | nM | 6.09 | Inhibition of recombinant SETD8 catalytic domain (unknown origin) (232 to 393 re... | 27804297 |
| N-lysine methyltransferase KMT5A | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of recombinant SETD8 catalytic domain (unknown origin) (232 to 393 re... | 27804297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27804297 | 10.1021/acs.jmedchem.6b01244 | N-lysine methyltransferase KMT5A | 7 |
| 27804297 | 10.1021/acs.jmedchem.6b01244 | ADMET | 2 |
| 27804297 | 10.1021/acs.jmedchem.6b01244 | Unchecked | 2 |
| 27804297 | 10.1021/acs.jmedchem.6b01244 | N-lysine methyltransferase SMYD2 | 1 |
| 27804297 | 10.1021/acs.jmedchem.6b01244 | Histone-lysine N-methyltransferase SMYD3 | 1 |
| 27804297 | 10.1021/acs.jmedchem.6b01244 | Histone-lysine N-methyltransferase EZH2 | 1 |
Data from ChEMBL 36 via Core Engine