Compound Detail
CHEMBL4282591
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Basic Information
| ChEMBL ID | CHEMBL4282591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSVYMBSJDYYFOX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.13
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone lysine demethylase PHF8 CHEMBL1938212 | IC50 | 7.0 | 6.63 | 100.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.39 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone lysine demethylase PHF8 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human N-terminal FLAG-tagged PHF8 expressed in baculov... | - |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | PHF8 Assay: PHF8 Assay: The ability of test compounds to inhibit the activity of... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was de... | - |
| Histone lysine demethylase PHF8 | IC50 | = | 550.0 | nM | 6.26 | PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was de... | - |
Data from ChEMBL 36 via Core Engine