Compound Detail
CHEMBL1800816
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Basic Information
| ChEMBL ID | CHEMBL1800816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZFOPEXOUVTGJS-ONEGZZNKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
1.41
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 80000.0 | nM | 4.1 | Cytotoxicity against human OE21 cells after 72 hrs by MTT assay | 21696954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696954 | 10.1016/j.bmcl.2011.05.089 | NON-PROTEIN TARGET | 4 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | A549 | 1 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | PC-3 | 1 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | SK-MEL-28 | 1 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | LoVo | 1 |
Data from ChEMBL 36 via Core Engine