Compound Detail
CHEMBL4216399
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Basic Information
| ChEMBL ID | CHEMBL4216399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZVIPXUKOHSZJK-KRWDZBQOSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
5.46
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.72
IC50 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4C CHEMBL6175 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| KYSE-150 cell line CHEMBL613998 | EC50 | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | EC50 | = | 19.0 | nM | 7.72 | Inhibition of full-length KDM4C (unknown origin) expressed in human KYSE-150 cel... | 28835804 |
| Lysine-specific demethylase 4C | IC50 | = | 48.0 | nM | 7.32 | Inhibition of KDM4C (unknown origin) using biotinylated H3K9me3 peptide and alph... | 28835804 |
| KYSE-150 cell line | EC50 | = | 99.0 | nM | 7.0 | Antiproliferative activity against human KYSE-150 cells after 168 hrs by 5-bromo... | 28835804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28835804 | 10.1021/acsmedchemlett.7b00220 | Lysine-specific demethylase 4C | 2 |
| 28835804 | 10.1021/acsmedchemlett.7b00220 | No relevant target | 1 |
| 28835804 | 10.1021/acsmedchemlett.7b00220 | IMR-90 | 1 |
| 28835804 | 10.1021/acsmedchemlett.7b00220 | KYSE-150 cell line | 1 |
Data from ChEMBL 36 via Core Engine