Compound Detail
CHEMBL5219125
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Basic Information
| ChEMBL ID | CHEMBL5219125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHQIFJVBUIFKRP-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
371.8
MW (Da)
3.41
ALogP
7
HBA
3
HBD
106.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Daudi CHEMBL614281 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.6 | 7.6 | 25.0 | 2 |
| DU-145 CHEMBL613508 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| AN3-CA CHEMBL1075392 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| HEC-1-A CHEMBL4296424 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Daudi | IC50 | = | 13.0 | nM | 7.89 | Cytotoxicity against human Daudi cells assessed as cell growth inhibition | 35981459 |
| DU-145 | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against human DU-145 cells assessed as cell growth inhibition | 35981459 |
| Unchecked | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against mouse LL2 cells assessed as cell growth inhibition | 35981459 |
| Unchecked | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against human MHOC-59 cell assessed as cell growth inhibition | 35981459 |
| SK-OV-3 | IC50 | = | 29.0 | nM | 7.54 | Cytotoxicity against human SK-OV-3 cells assessed as cell growth inhibition | 35981459 |
| AN3-CA | IC50 | = | 32.0 | nM | 7.5 | Cytotoxicity against human AN3-CA cells assessed as cell growth inhibition | 35981459 |
| MCF7 | IC50 | = | 40.0 | nM | 7.4 | Cytotoxicity against human MCF7 cells assessed as cell growth inhibition | 35981459 |
| HEC-1-A | IC50 | = | 41.0 | nM | 7.39 | Cytotoxicity against human HEC-1-A cells assessed as cell growth inhibition | 35981459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35981459 | 10.1016/j.ejmech.2022.114645 | Unchecked | 2 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | IM-9 | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | K562 | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | Jurkat | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | Daudi | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | HL-60 | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | MCF7 | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | DU-145 | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | SK-OV-3 | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | AN3-CA | 1 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | HEC-1-A | 1 |
Data from ChEMBL 36 via Core Engine