Compound Detail
CHEMBL5280725
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Basic Information
| ChEMBL ID | CHEMBL5280725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYDKDHYQJZTWCN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
2.05
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| PC-9 CHEMBL614102 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of KDM5A (unknown origin ) by Alphascreen assay | 34555614 |
| PC-9 | EC50 | = | 5000.0 | nM | 5.3 | Antiproliferative activity against human PC-9 cells assessed as reduction in cel... | 34555614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5A | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | PC-9 | 1 |
Data from ChEMBL 36 via Core Engine