Compound Detail
CHEMBL1094823
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Basic Information
| ChEMBL ID | CHEMBL1094823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXZWLRMQBKIQRO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.41
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 52000.0 | nM | 4.28 | Cytotoxicity against human A549 cells after 48 hrs by resazurin reduction assay | 20413315 |
| NON-PROTEIN TARGET | IC50 | = | 74000.0 | nM | 4.13 | Cytotoxicity against human WS1 cells after 48 hrs by resazurin reduction assay | 20413315 |
| DLD-1 | IC50 | = | 77000.0 | nM | 4.11 | Cytotoxicity against human DLD1 cells after 48 hrs by resazurin reduction assay | 20413315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20413315 | 10.1016/j.bmc.2010.03.040 | A549 | 1 |
| 20413315 | 10.1016/j.bmc.2010.03.040 | NON-PROTEIN TARGET | 1 |
| 20413315 | 10.1016/j.bmc.2010.03.040 | DLD-1 | 1 |
Data from ChEMBL 36 via Core Engine