Compound Detail
CHEMBL4515319
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Basic Information
| ChEMBL ID | CHEMBL4515319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQAMCIQIADSXEU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.84
ALogP
8
HBA
4
HBD
127.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | IC50 | 5.97 | 5.97 | 1060.0 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 4.51 | 4.51 | 30540.0 | 2 |
| Kasumi 1 CHEMBL613988 | IC50 | 4.34 | 4.34 | 45750.0 | 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 | = | 1060.0 | nM | 5.97 | Inhibition of DOT1L (unknown origin) | 30343191 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific | IC50 | = | 1060.0 | nM | 5.97 | Inhibition of DOT1L (unknown origin) | 34655985 |
| MV4-11 | IC50 | = | 30540.0 | nM | 4.51 | Antiproliferative activity against human MV4-11 cells | 30343191 |
| MV4-11 | IC50 | = | 30540.0 | nM | 4.51 | Antiproliferative activity against human MV4-11 cells | 34655985 |
| Kasumi 1 | IC50 | = | 45750.0 | nM | 4.34 | Antiproliferative activity against human Kasumi-1 cells | 30343191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30343191 | 10.1016/j.ejmech.2018.10.035 | Kasumi 1 | 1 |
| 30343191 | 10.1016/j.ejmech.2018.10.035 | MV4-11 | 1 |
| 30343191 | 10.1016/j.ejmech.2018.10.035 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
| 34655985 | 10.1016/j.ejmech.2021.113865 | MV4-11 | 1 |
| 34655985 | 10.1016/j.ejmech.2021.113865 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
Data from ChEMBL 36 via Core Engine