Compound Detail
CHEMBL2041927
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Basic Information
| ChEMBL ID | CHEMBL2041927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWJJTMSGZIPAQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
2.35
ALogP
2
HBA
1
HBD
33.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 86000.0 | nM | 4.07 | Cytotoxicity against human LoVo cells after 72 hrs by MTT assay | 22809559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22809559 | 10.1016/j.ejmech.2012.06.012 | NON-PROTEIN TARGET | 3 |
| 22809559 | 10.1016/j.ejmech.2012.06.012 | A549 | 1 |
| 22809559 | 10.1016/j.ejmech.2012.06.012 | LoVo | 1 |
| 22809559 | 10.1016/j.ejmech.2012.06.012 | MCF7 | 1 |
| 22809559 | 10.1016/j.ejmech.2012.06.012 | PC-3 | 1 |
| 22809559 | 10.1016/j.ejmech.2012.06.012 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine