Compound Detail
CHEMBL4637168
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Basic Information
| ChEMBL ID | CHEMBL4637168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFUDSGXVTFJZFS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
0.81
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
EC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 7.82 | 7.82 | 15.1 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| A549 CHEMBL392 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 15.1 | nM | 7.82 | Inhibition of KDM5A (unknown origin ) by Alphalisa analysis | 34555614 |
| Lysine-specific demethylase 5B | IC50 | = | 20.0 | nM | 7.7 | Inhibition of KDM5B (unknown origin) | 30343192 |
| A549 | EC50 | = | 40000.0 | nM | 4.4 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 34555614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30343192 | 10.1016/j.ejmech.2018.10.040 | Lysine-specific demethylase 5B | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | A549 | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5A | 1 |
Data from ChEMBL 36 via Core Engine