Compound Detail
CHEMBL2046709
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Basic Information
| ChEMBL ID | CHEMBL2046709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAUOQTXBUKUGDV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.29
ALogP
9
HBA
0
HBD
75.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.31 | 5.31 | 4880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 1400.0 | nM | 5.85 | Cytotoxicity against FLT3-dependent human MV4-11 cells after 72 hrs by MTT assay | 22452518 |
| Lysine-specific histone demethylase 1A | IC50 | = | 4880.0 | nM | 5.31 | Inhibition of LSD1 (unknown origin) | 34915312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22452518 | 10.1021/jm300042x | MV4-11 | 1 |
| 22452518 | 10.1021/jm300042x | HCT-116 | 1 |
| 34915312 | 10.1016/j.ejmech.2021.114042 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine