Compound Detail
CHEMBL5286372
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Basic Information
| ChEMBL ID | CHEMBL5286372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNQBSNIBYKAZGI-CQSZACIVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.18
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.11
EC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 10.11 | 8.555 | 0.1 | 2 |
| PC-9 CHEMBL614102 | EC50 | 6.02 | 6.02 | 960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 0.078 | nM | 10.11 | KDM5 Enzyme Assay: Full length KDM5A enzyme was expressed and purified inhouse. ... | - |
| Lysine-specific demethylase 5A | IC50 | = | 99.0 | nM | 7.0 | Inhibition of KDM5A (unknown origin ) by Alphascreen assay | 34555614 |
| PC-9 | EC50 | = | 960.0 | nM | 6.02 | 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