Compound Detail
CHEMBL602503
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL602503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSQROISKTQNLFB-CQSZACIVSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
472.3
MW (Da)
1.41
ALogP
6
HBA
3
HBD
147.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.27 | 5.0733 | 5400.0 | 3 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 4.92 | 4.92 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of JMJD2E by FDH coupled assay | 20088513 |
| Lysine-specific demethylase 4E | IC50 | = | 5400.0 | nM | 5.27 | Binding affinity to JMJD2E | 21596573 |
| Unchecked | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of KDM4E | 21955276 |
| Lysine-specific demethylase 4A | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of JMJD2A by MALDI-TOF assay | 20088513 |
| Lysine-specific demethylase 4A | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of KDM4A | 21955276 |
| Unchecked | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of JMJD2E by MALDI-TOF assay | 20088513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20088513 | 10.1021/jm901680b | Unchecked | 5 |
| 20088513 | 10.1021/jm901680b | Lysine-specific demethylase 4A | 1 |
| 21596573 | 10.1016/j.bmc.2011.01.046 | Lysine-specific demethylase 4E | 1 |
| 21955276 | 10.1021/jm201048w | Lysine-specific demethylase 4A | 1 |
| 21955276 | 10.1021/jm201048w | Unchecked | 1 |
| 21955276 | 10.1021/jm201048w | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine