Compound Detail
CHEMBL4777038
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Basic Information
| ChEMBL ID | CHEMBL4777038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXUMEIKBRRTYMR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
1.29
ALogP
9
HBA
3
HBD
145.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | IC50 | 4.96 | 4.96 | 10900.0 | 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 | = | 10900.0 | nM | 4.96 | Inhibition of recombinant human N-terminal GST-tagged DOT1L (1 to 420 residues) ... | 31978781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31978781 | 10.1016/j.ejmech.2019.112023 | Protein arginine N-methyltransferase 3 | 2 |
| 31978781 | 10.1016/j.ejmech.2019.112023 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
| 31978781 | 10.1016/j.ejmech.2019.112023 | DNA (cytosine-5)-methyltransferase 1 | 1 |
| 31978781 | 10.1016/j.ejmech.2019.112023 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 31978781 | 10.1016/j.ejmech.2019.112023 | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 31978781 | 10.1016/j.ejmech.2019.112023 | Histone-lysine N-methyltransferase SETD7 | 1 |
| 31978781 | 10.1016/j.ejmech.2019.112023 | Protein arginine N-methyltransferase 5 | 1 |
| 31978781 | 10.1016/j.ejmech.2019.112023 | Protein arginine N-methyltransferase 7 | 1 |
Data from ChEMBL 36 via Core Engine