Compound Detail
CHEMBL4434837
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Basic Information
| ChEMBL ID | CHEMBL4434837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIEHAQMDVJBNQD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
5.31
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-79 specific | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of human DOTL1 (2 to 416 residues)-mediated methylation of nucleosome... | 27563394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27563394 | 10.1021/acsmedchemlett.6b00168 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
Data from ChEMBL 36 via Core Engine