Compound Detail
CHEMBL1088294
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Basic Information
| ChEMBL ID | CHEMBL1088294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKRDKHSKDNDDSM-JOBJLJCHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
5.34
ALogP
6
HBA
0
HBD
55.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 26000.0 | nM | 4.58 | Cytotoxicity against human Caov3 cells after 72 hrs by MTT assay | 19969398 |
| A549 | IC50 | = | 27000.0 | nM | 4.57 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 19969398 |
| SK-OV-3 | IC50 | = | 30000.0 | nM | 4.52 | Cytotoxicity against human Scov3 cells after 72 hrs by MTT assay | 19969398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19969398 | 10.1016/j.ejmech.2009.11.041 | SK-OV-3 | 1 |
| 19969398 | 10.1016/j.ejmech.2009.11.041 | NON-PROTEIN TARGET | 1 |
| 19969398 | 10.1016/j.ejmech.2009.11.041 | A549 | 1 |
Data from ChEMBL 36 via Core Engine