Compound Detail
CHEMBL4303308
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Basic Information
| ChEMBL ID | CHEMBL4303308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJIFOCRGDDQFJF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.03
ALogP
6
HBA
2
HBD
91.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 2B CHEMBL3779760 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| Histone lysine demethylase PHF8 CHEMBL1938212 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 2B | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of KDM2B (1 to 650 residues)(unknown origin) by Alphalisa assay | 25279926 |
| Histone lysine demethylase PHF8 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of PHF8 (1 to 1024 residues)(unknown origin) by Alphalisa assay | 25279926 |
| Lysine-specific demethylase 5B | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of KDM5B (1 to 809 residues)(unknown origin) by Alphalisa assay | 25279926 |
| Lysine-specific demethylase 6B | IC50 | = | 49000.0 | nM | 4.31 | Inhibition of KDM6B (1043 to 1643 residues)(unknown origin) by Alphalisa assay | 25279926 |
| Lysine-specific demethylase 4C | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of human JmjD2c using H3K27(me3) as substrate preincubated for 10 min... | 22842901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22842901 | 10.1038/nature11262 | Unchecked | 3 |
| 22842901 | 10.1038/nature11262 | Muscarinic acetylcholine receptor M1 | 2 |
| 22842901 | 10.1038/nature11262 | 5-hydroxytryptamine receptor 2A | 2 |
| 22842901 | 10.1038/nature11262 | 5-hydroxytryptamine receptor 1B | 2 |
| 22842901 | 10.1038/nature11262 | Kappa-type opioid receptor | 2 |
| 22842901 | 10.1038/nature11262 | Mu-type opioid receptor | 2 |
| 22842901 | 10.1038/nature11262 | 5-hydroxytryptamine receptor 2C | 2 |
| 22842901 | 10.1038/nature11262 | D(2) dopamine receptor | 2 |
| 25279926 | 10.1038/nature13688 | Lysine-specific demethylase 6B | 2 |
| 22842901 | 10.1038/nature11262 | Muscarinic acetylcholine receptor M2 | 2 |
| 25279926 | 10.1038/nature13688 | Lysine-specific demethylase 4C | 2 |
| 22842901 | 10.1038/nature11262 | Acetylcholine receptor subunit alpha | 2 |
| 22842901 | 10.1038/nature11262 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 22842901 | 10.1038/nature11262 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 25279926 | 10.1038/nature13688 | Lysine-specific demethylase 5A | 1 |
| 25279926 | 10.1038/nature13688 | Lysine-specific demethylase 5B | 1 |
| 22842901 | 10.1038/nature11262 | Macrophage | 1 |
| 25279926 | 10.1038/nature13688 | Lysine-specific demethylase 3A | 1 |
Data from ChEMBL 36 via Core Engine