Compound Detail
CHEMBL3621876
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Basic Information
| ChEMBL ID | CHEMBL3621876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFOATAVNXFFWRM-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.61
ALogP
6
HBA
1
HBD
101.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 4.8 | 4.8 | 15848.9 | 1 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 4.3 | 4.3 | 50118.7 | 1 |
| Lysine-specific demethylase 3A CHEMBL1938209 | IC50 | 4.2 | 4.2 | 63095.7 | 1 |
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5C | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of KDM5C (unknown origin) using H3(1-21)K4Me3-GGK-biotin substrate in... | 26682034 |
| Lysine-specific demethylase 2A | IC50 | = | 7943.28 | nM | 5.1 | Inhibition of KDM2A (unknown origin) using Biotin-H3(28-48)K36Me2 and H3(28-48)K... | 26682034 |
| Lysine-specific demethylase 4C | IC50 | = | 15848.93 | nM | 4.8 | Inhibition of KDM4C (unknown origin) using H3(1-21)K9Me3-GGK-biotin substrate in... | 26682034 |
| Lysine-specific demethylase 6B | IC50 | = | 50118.72 | nM | 4.3 | Inhibition of KDM6B (unknown origin) using H3(21-44)K27Me3-GK-biotin substrate i... | 26682034 |
| Lysine-specific demethylase 3A | IC50 | = | 63095.73 | nM | 4.2 | Inhibition of KDM3A (unknown origin) using H3(1-21)K9Me2-GGK-biotin substrate in... | 26682034 |
| Lysine-specific demethylase 4E | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of KDM4E (unknown origin) by alpha screen assay | 26682034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 2A | 1 |
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 4C | 1 |
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 3A | 1 |
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 4E | 1 |
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 5C | 1 |
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 6B | 1 |
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 4A | 1 |
Data from ChEMBL 36 via Core Engine