Compound Detail
CHEMBL5723343
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CC(=O)N1c2ccccc2[C@@](C#N)(c2ccccc2)[C@@H]1c1cncc(CCCCCCCN2CCCC2)c1
Basic Information
| ChEMBL ID | CHEMBL5723343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJAWJBZGYNKPQV-JHOUSYSJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.7
MW (Da)
6.59
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Lysine-specific demethylase 7A CHEMBL2163177 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 2A | IC50 | = | 160.0 | nM | 6.8 | Affinity Biochemical interaction: (AlphaScreen) EUB0002790a KDM2A | - |
| Lysine-specific demethylase 7A | IC50 | = | 190.0 | nM | 6.72 | Affinity Biochemical interaction: (AlphaScreen) EUB0002790a JHDM1D | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5723035 | Lysine-specific demethylase 2A | 1 |
| - | 10.6019/CHEMBL5723035 | Lysine-specific demethylase 7A | 1 |
Data from ChEMBL 36 via Core Engine