Compound Detail
CHEMBL5187087
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Basic Information
| ChEMBL ID | CHEMBL5187087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVYJGYSDZWHDQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
5.53
ALogP
6
HBA
2
HBD
73.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of recombinant human KDM1A (158 to 852 residues) using H3K4Me2 peptid... | 35101649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35101649 | 10.1016/j.ejmech.2022.114143 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine