Compound Detail
CHEMBL5277258
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Basic Information
| ChEMBL ID | CHEMBL5277258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUVMHEGGYLIJHD-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
387.8
MW (Da)
1.24
ALogP
7
HBA
2
HBD
120.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.15
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 8.15 | 7.5267 | 7.0 | 3 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 6.24 | 6.24 | 571.0 | 1 |
| Caco-2 CHEMBL614058 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5B | IC50 | = | 7.0 | nM | 8.15 | Inhibition of KDM5B (unknown origin) | 32883639 |
| Lysine-specific demethylase 5B | IC50 | = | 7.0 | nM | 8.15 | Inhibition of KDM5B (unknown origin ) by Alphascreen assay | 34555614 |
| Lysine-specific demethylase 5A | IC50 | = | 10.0 | nM | 8.0 | Inhibition of KDM5A (unknown origin ) by Alphascreen assay | 34555614 |
| Lysine-specific demethylase 5B | IC50 | = | 530.0 | nM | 6.28 | Inhibition of KDM5B in HEK293 cells by NanoBRET assay | 32883639 |
| Lysine-specific demethylase 5C | IC50 | = | 571.0 | nM | 6.24 | Inhibition of KDM5C (unknown origin ) by Alphascreen assay | 34555614 |
| Caco-2 | EC50 | = | 2500.0 | nM | 5.6 | Antiproliferative activity against human Caco-2 cells | 34555614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883639 | 10.1016/j.ejmech.2020.112760 | Lysine-specific demethylase 5B | 2 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5A | 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 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine