Compound Detail
CHEMBL4105618
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Basic Information
| ChEMBL ID | CHEMBL4105618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APDGRTPKZUWEKY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
4.63
ALogP
6
HBA
0
HBD
74.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.06
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| MX1 CHEMBL613704 | EC50 | 8.06 | 8.06 | 8.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of recombinant His-tagged BRD4 (unknown origin) using biotinylated ac... | 28195723 |
| MX1 | EC50 | = | 8.7 | nM | 8.06 | Antiproliferative activity against human MX1 cells after 72 hrs by CellTiter-Glo... | 28195723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28195723 | 10.1021/acs.jmedchem.6b01761 | Mus musculus | 1 |
| 28195723 | 10.1021/acs.jmedchem.6b01761 | Bromodomain-containing protein 4 | 1 |
| 28195723 | 10.1021/acs.jmedchem.6b01761 | MX1 | 1 |
Data from ChEMBL 36 via Core Engine