Compound Detail
CHEMBL3104346
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Basic Information
| ChEMBL ID | CHEMBL3104346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEGJSEASBVRYIO-LZYBPNLTSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
290.7
MW (Da)
2.52
ALogP
4
HBA
3
HBD
81.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.56 | 6.56 | 275.0 | 3 |
| T47D CHEMBL614361 | IC50 | 6.09 | 6.09 | 821.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 275.0 | nM | 6.56 | Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate asses... | 24237195 |
| Lysine-specific histone demethylase 1A | IC50 | = | 275.0 | nM | 6.56 | Inhibitor Screening Assay: The primary assay for compound inhibitory activity wa... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 275.0 | nM | 6.56 | LSD1 Histone Demethylase Assay: The primary assay for compound inhibitory activi... | - |
| T47D | IC50 | = | 821.0 | nM | 6.09 | Growth inhibition of human T47D cells after 96 hrs by ATPlite luminescence assay | 24237195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24237195 | 10.1021/jm400870h | T47D | 1 |
| 24237195 | 10.1021/jm400870h | Lysine-specific histone demethylase 1A | 1 |
| 25127462 | 10.1016/j.bmc.2014.07.022 | Candida albicans | 1 |
| 25127462 | 10.1016/j.bmc.2014.07.022 | Nakaseomyces glabratus | 1 |
Data from ChEMBL 36 via Core Engine