Compound Detail
CHEMBL4786329
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Basic Information
| ChEMBL ID | CHEMBL4786329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQPGVGSKBNXQDU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.51
ALogP
7
HBA
1
HBD
80.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 2B CHEMBL3779760 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 2B | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of KDM2B (1 to 650 residues)(unknown origin) by Alphalisa assay | 25279926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22842901 | 10.1038/nature11262 | Macrophage | 73 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4689842 | U2OS | 9 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 9 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| 22842901 | 10.1038/nature11262 | Unchecked | 4 |
| 25279926 | 10.1038/nature13688 | Lysine-specific demethylase 4C | 2 |
| 25279926 | 10.1038/nature13688 | Lysine-specific demethylase 6B | 2 |
| 22842901 | 10.1038/nature11262 | Lysine-specific demethylase 6B | 2 |
| - | 10.6019/CHEMBL5060014 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5060014 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5209897 | Lysine-specific demethylase 6A | 1 |
| - | 10.6019/CHEMBL5060014 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5060014 | Casein kinase I isoform delta | 1 |
| 25279926 | 10.1038/nature13688 | Lysine-specific demethylase 2B | 1 |
| - | 10.6019/CHEMBL5060014 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5060014 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine