Compound Detail
CHEMBL5593371
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Basic Information
| ChEMBL ID | CHEMBL5593371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFJGRODNLNWAE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
6.12
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.89 | 7.89 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 13.0 | nM | 7.89 | Inhibition of recombinant LSD1 (unknown origin) expressed in BL21(DE3) cells usi... | 39264726 |
| Lysine-specific histone demethylase 1A | IC50 | = | 13.0 | nM | 7.89 | Inhibition of recombinant LSD1 ( unknown origin) expressed in Escherichia coli B... | 37542989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37542989 | 10.1016/j.ejmech.2023.115684 | BGC-823 | 12 |
| 37542989 | 10.1016/j.ejmech.2023.115684 | MFC | 7 |
| 37542989 | 10.1016/j.ejmech.2023.115684 | Lysine-specific histone demethylase 1A | 4 |
| 37542989 | 10.1016/j.ejmech.2023.115684 | Unchecked | 4 |
| 37542989 | 10.1016/j.ejmech.2023.115684 | ADMET | 3 |
| 39264726 | 10.1021/acs.jmedchem.4c00972 | Lysine-specific histone demethylase 1A | 1 |
| 37542989 | 10.1016/j.ejmech.2023.115684 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine