Compound Detail
CHEMBL3104837
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Basic Information
| ChEMBL ID | CHEMBL3104837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMAJLTGEJGSZBH-ZHACJKMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.59
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 42000.0 | nM | 4.38 | Growth inhibition of human Hs683 cells by MTT assay | 24374273 |
| LoVo | IC50 | = | 82000.0 | nM | 4.09 | Growth inhibition of human LoVo cells by MTT assay | 24374273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24374273 | 10.1016/j.bmcl.2013.12.049 | NON-PROTEIN TARGET | 2 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | LoVo | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | PC-3 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | SK-MEL-28 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | A549 | 1 |
Data from ChEMBL 36 via Core Engine