Compound Detail
CHEMBL4752151
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4752151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXMFTQGDYRMEFO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
1.01
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA demethylase ALKBH5 CHEMBL3621037 | IC50 | 6.08 | 6.08 | 840.0 | 3 |
| CCRF-CEM CHEMBL382 | IC50 | 5.86 | 5.86 | 1380.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.86 | 5.86 | 1380.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.86 | 5.86 | 1380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA demethylase ALKBH5 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of ALKBH5 demethylase activity (unknown origin) assessed as increase ... | 34141055 |
| RNA demethylase ALKBH5 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of recombinant ALKBH5 (unknown origin) mediated demethylase activity ... | 34792334 |
| RNA demethylase ALKBH5 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of N-terminal ALKBH5 (unknown origin) expressed in Sf9 cells | 38805939 |
| HL-60 | IC50 | = | 1380.0 | nM | 5.86 | Cytotoxicity against human HL-60 cells assessed as reduction in cell viability i... | 34792334 |
| CCRF-CEM | IC50 | = | 1380.0 | nM | 5.86 | Cytotoxicity against human CCRF-CEM cells assessed as reduction in cell viabilit... | 34792334 |
| K562 | IC50 | = | 1380.0 | nM | 5.86 | Cytotoxicity against human K562 cells assessed as reduction in cell viability in... | 34792334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34141055 | 10.1021/acsmedchemlett.1c00102 | RNA demethylase ALKBH5 | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | RNA demethylase ALKBH5 | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | HL-60 | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | CCRF-CEM | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | K562 | 1 |
| 38805939 | 10.1016/j.ejmech.2024.116526 | RNA demethylase ALKBH5 | 1 |
Data from ChEMBL 36 via Core Engine