Compound Detail
CHEMBL1312860
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Basic Information
| ChEMBL ID | CHEMBL1312860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMCVPHRDALQWTJ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.1
MW (Da)
2.91
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 3.5
Kd 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | Kd | 4.3 | 4.3 | 50000.0 | 1 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | IC50 | 3.5 | 3.5 | 320000.0 | 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 | Kd | = | 50000.0 | nM | 4.3 | Binding affinity to biotinylated Avi tagged human DoT1L (2 to 416 residues) by S... | 27563394 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific | IC50 | = | 320000.0 | nM | 3.5 | 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 | 2 |
| 35014841 | 10.1021/acs.jmedchem.1c01208 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
Data from ChEMBL 36 via Core Engine