Compound Detail
CHEMBL244593
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Basic Information
| ChEMBL ID | CHEMBL244593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSUPFMQZDNVBAH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.83
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human Hep3B cells after 72 hrs by MTT colorimetric method | 17622129 |
| MDA-MB-231 | IC50 | = | 390.0 | nM | 6.41 | Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTT colorimetric met... | 17622129 |
| MCF7 | IC50 | = | 660.0 | nM | 6.18 | Cytotoxicity against human MCF7 cells after 72 hrs by MTT colorimetric method | 17622129 |
| A549 | IC50 | = | 1810.0 | nM | 5.74 | Cytotoxicity against human A549 cells after 72 hrs by MTT colorimetric method | 17622129 |
| HepG2 | IC50 | = | 3550.0 | nM | 5.45 | Cytotoxicity against human HepG2 cells after 72 hrs by MTT colorimetric method | 17622129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17622129 | 10.1021/jm070363a | HepG2 | 1 |
| 17622129 | 10.1021/jm070363a | NON-PROTEIN TARGET | 1 |
| 17622129 | 10.1021/jm070363a | MDA-MB-231 | 1 |
| 17622129 | 10.1021/jm070363a | MCF7 | 1 |
| 17622129 | 10.1021/jm070363a | A549 | 1 |
| 20187635 | 10.1021/np900821e | NON-PROTEIN TARGET | 1 |
| 20187635 | 10.1021/np900821e | MDA-MB-231 | 1 |
| 20187635 | 10.1021/np900821e | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine