Compound Detail
CHEMBL4228321
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Basic Information
| ChEMBL ID | CHEMBL4228321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJCLAYNTNLSCOL-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
2.65
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 7.26 | 6.5 | 55.0 | 6 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | IC50 | = | 55.0 | nM | 7.26 | Activity Assay: The ability of test compounds to inhibit the activity of JMJD2C ... | - |
| Lysine-specific demethylase 5B | IC50 | = | 76.0 | nM | 7.12 | Inhibition of KDM5B (unknown origin) preincubated with enzyme | 29627262 |
| Lysine-specific demethylase 4C | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human N-terminal GST-tagged JMJD2C (2 to 372 residues)... | - |
| Lysine-specific demethylase 4C | IC50 | = | 550.0 | nM | 6.26 | JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... | - |
| Lysine-specific demethylase 4C | IC50 | = | 550.0 | nM | 6.26 | JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... | - |
| Lysine-specific demethylase 4C | IC50 | = | 550.0 | nM | 6.26 | In Vitro Enzyme Inhibition Assay: The ability of test compounds to inhibit the a... | - |
| Lysine-specific demethylase 4C | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of KDM4C (unknown origin) preincubated with enzyme | 29627262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29627262 | 10.1016/j.bmcl.2018.03.083 | Lysine-specific demethylase 5B | 1 |
| 29627262 | 10.1016/j.bmcl.2018.03.083 | Lysine-specific demethylase 4C | 1 |
Data from ChEMBL 36 via Core Engine