Compound Detail
CHEMBL5272568
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Basic Information
| ChEMBL ID | CHEMBL5272568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APYABXFXNNTCQD-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
3.37
ALogP
8
HBA
1
HBD
93.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.08
EC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM1.S CHEMBL4296471 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM1.S | EC50 | = | 420.0 | nM | 6.38 | Antiproliferative activity against human MM1.S cells assessed as reduction in ce... | 34555614 |
| Lysine-specific demethylase 5A | IC50 | = | 830.0 | nM | 6.08 | Inhibition of KDM5A (unknown origin ) by TR-FRET assay | 34555614 |
| Lysine-specific demethylase 5C | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of KDM5C (unknown origin ) by TR-FRET assay | 34555614 |
| Lysine-specific demethylase 5B | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of KDM5B (unknown origin ) by TR-FRET assay | 34555614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34555614 | 10.1016/j.ejmech.2021.113855 | MM1.S | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5B | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5C | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5A | 1 |
Data from ChEMBL 36 via Core Engine