Compound Detail
CHEMBL3774814
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Basic Information
| ChEMBL ID | CHEMBL3774814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFBZIQYZEQEWFT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.33
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 6.37 | 5.57 | 430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | IC50 | = | 430.0 | nM | 6.37 | Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) ... | 26699912 |
| Lysine-specific demethylase 4C | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) ... | 26699912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26699912 | 10.1021/acs.jmedchem.5b01527 | Lysine-specific demethylase 4C | 2 |
Data from ChEMBL 36 via Core Engine