Compound Detail
CHEMBL4067490
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Basic Information
| ChEMBL ID | CHEMBL4067490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXEXTVGTDZRKJS-NSHDSACASA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
1.27
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.89
EC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 9.89 | 6.4925 | 0.1 | 4 |
| BT-474 CHEMBL614529 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 0.13 | nM | 9.89 | KDM5 Enzyme Assay: Full length KDM5A enzyme was expressed and purified inhouse. ... | - |
| Lysine-specific demethylase 5A | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of ARID/PHD1 domain truncated human N-terminal His-SUMO-tagged KDM5A ... | 29537847 |
| Lysine-specific demethylase 5A | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues... | 29537847 |
| BT-474 | EC50 | = | 8300.0 | nM | 5.08 | Growth inhibition of human BT474 cells measured every 4 hrs for 288 hrs by live ... | 29537847 |
| Lysine-specific demethylase 5A | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of ARID/PHD1 domain truncated human N-terminal His-SUMO-tagged KDM5A ... | 29537847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29537847 | 10.1021/acs.jmedchem.8b00261 | Lysine-specific demethylase 5A | 9 |
| 29537847 | 10.1021/acs.jmedchem.8b00261 | Unchecked | 6 |
| 29537847 | 10.1021/acs.jmedchem.8b00261 | MCF7 | 2 |
| 29537847 | 10.1021/acs.jmedchem.8b00261 | BT-474 | 1 |
| 29537847 | 10.1021/acs.jmedchem.8b00261 | SK-BR-3 | 1 |
| 29537847 | 10.1021/acs.jmedchem.8b00261 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine