Compound Detail
CHEMBL4288093
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Basic Information
| ChEMBL ID | CHEMBL4288093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYWWWRWPSHBPRZ-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.47
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 7.0 | 6.63 | 100.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.0133 | 300.0 | 3 |
| Histone lysine demethylase PHF8 CHEMBL1938212 | IC50 | 6.0 | 5.63 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 2A | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human C-terminal FLAG-tagged FBXL11 expressed in bacul... | - |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | FBXL11 Assay: PHF8 Assay: The ability of test compounds to inhibit the activity ... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | FBXL11 Assay: The ability of test compounds to inhibit the activity of FBXL11 wa... | - |
| Lysine-specific demethylase 2A | IC50 | = | 550.0 | nM | 6.26 | FBXL11 Assay: The ability of test compounds to inhibit the activity of FBXL11 wa... | - |
| Histone lysine demethylase PHF8 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human N-terminal FLAG-tagged PHF8 expressed in baculov... | - |
| Unchecked | IC50 | = | 5500.0 | nM | 5.26 | PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was de... | - |
| Histone lysine demethylase PHF8 | IC50 | = | 5500.0 | nM | 5.26 | PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was de... | - |
Data from ChEMBL 36 via Core Engine