Compound Detail
CHEMBL3785984
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Basic Information
| ChEMBL ID | CHEMBL3785984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKHNNZLMYRHIDM-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
4.46
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
EC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4A CHEMBL5896 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4A | EC50 | = | 3800.0 | nM | 5.42 | Inhibition of human Flag-tagged KDM4A expressed in human HeLa cells assessed as ... | 26710088 |
| Lysine-specific demethylase 4C | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of KDM4C (unknown origin) using H3K9me3 as substrate after 24 hrs by ... | 26710088 |
| Lysine-specific demethylase 4E | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of KDM4E (unknown origin) after 24 hrs by alphascreen assay | 26710088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4A | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4C | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4E | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 2A | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 3A | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 5C | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 6B | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Egl nine homolog 1 | 1 |
| 30737136 | 10.1016/j.bmc.2019.01.018 | Prolyl 4-hydroxylase | 1 |
Data from ChEMBL 36 via Core Engine