Compound Detail
CHEMBL4212636
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Basic Information
| ChEMBL ID | CHEMBL4212636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIDMLRBIZLZHIF-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.58
ALogP
7
HBA
1
HBD
94.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.97
Ki 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 6.47 | 6.405 | 335.0 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 5.97 | 5.97 | 1062.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.94 | 5.89 | 1139.0 | 2 |
| MOLM-13 CHEMBL3706572 | IC50 | 5.03 | 5.03 | 9271.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 335.0 | nM | 6.47 | Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-ta... | 28463487 |
| Bromodomain-containing protein 4 | Ki | = | 456.0 | nM | 6.34 | Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-ta... | 28463487 |
| MV4-11 | IC50 | = | 1062.0 | nM | 5.97 | Growth inhibition of human MV4-11 cells after 4 days by WST-8 assay | 28463487 |
| Bromodomain-containing protein 4 | IC50 | = | 1139.0 | nM | 5.94 | Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-ta... | 28463487 |
| Bromodomain-containing protein 4 | IC50 | = | 1456.0 | nM | 5.84 | Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-ta... | 28463487 |
| MOLM-13 | IC50 | = | 9271.0 | nM | 5.03 | Growth inhibition of human MOLM13 cells after 4 days by WST-8 assay | 28463487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28463487 | 10.1021/acs.jmedchem.7b00193 | Bromodomain-containing protein 4 | 4 |
| 28463487 | 10.1021/acs.jmedchem.7b00193 | MV4-11 | 1 |
| 28463487 | 10.1021/acs.jmedchem.7b00193 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine