Compound Detail
CHEMBL5594228
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Basic Information
| ChEMBL ID | CHEMBL5594228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUMGFEMNXBLDKD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
2.42
ALogP
4
HBA
2
HBD
88.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| OCI-AML-3 CHEMBL4296479 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| OCI-AML-3 | IC50 | = | 1300.0 | nM | 5.89 | Antiproliferative activity against human OCI-AML-3 cells assessed as reduction i... | 39185935 |
| HCT-116 | IC50 | = | 2800.0 | nM | 5.55 | Antiproliferative activity against human HCT-116 cells assessed as reduction in ... | 39185935 |
| MCF7 | IC50 | = | 4300.0 | nM | 5.37 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 39185935 |
| Protein Mdm4 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of MDMX (unknown origin) | 39185935 |
| A549 | IC50 | = | 5300.0 | nM | 5.28 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 39185935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39185935 | 10.1021/acs.jmedchem.4c00913 | Protein Mdm4 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | MCF7 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | OCI-AML-3 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | HCT-116 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | A549 | 1 |
Data from ChEMBL 36 via Core Engine