Compound Detail
CHEMBL2392185
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Basic Information
| ChEMBL ID | CHEMBL2392185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPGKFNDWKVWMNI-BQYQJAHWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
0.87
ALogP
5
HBA
4
HBD
115.9
PSA (Ų)
0.22
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 2A | IC50 | = | 420.0 | nM | 6.38 | Inhibition of recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Esch... | 23725560 |
| Lysine-specific demethylase 4A | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of JMJD2A (unknown origin) | 23725560 |
| Lysine-specific demethylase 6B | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of recombinant 6xHis-tagged JMJD3 (unknown origin) expressed in Esche... | 23725560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23725560 | 10.1021/jm3018628 | Lysine-specific demethylase 2A | 1 |
| 23725560 | 10.1021/jm3018628 | Lysine-specific demethylase 6B | 1 |
| 23725560 | 10.1021/jm3018628 | Lysine-specific demethylase 4A | 1 |
Data from ChEMBL 36 via Core Engine