Compound Detail
CHEMBL516707
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Basic Information
| ChEMBL ID | CHEMBL516707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDUHVXXNLXFPLR-WNRNVDISSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.32
ALogP
6
HBA
1
HBD
68.2
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 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.05 | 4.05 | 88500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 88500.0 | nM | 4.05 | Growth inhibition of human WI38 cells after 72 hrs by MTT assay | 19788245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19788245 | 10.1021/jm901031h | NON-PROTEIN TARGET | 3 |
| 19013823 | 10.1016/j.bmc.2008.10.061 | Unchecked | 2 |
| 19013823 | 10.1016/j.bmc.2008.10.061 | Plasmodium falciparum | 2 |
| 19788245 | 10.1021/jm901031h | ADMET | 2 |
| 29033234 | 10.1016/j.bmcl.2017.09.052 | Flavobacterium columnare | 2 |
| 19013823 | 10.1016/j.bmc.2008.10.061 | Trypanosoma brucei brucei | 1 |
| 19013823 | 10.1016/j.bmc.2008.10.061 | MRC5 | 1 |
| 19788245 | 10.1021/jm901031h | A549 | 1 |
| 19788245 | 10.1021/jm901031h | SK-MEL-28 | 1 |
| 19788245 | 10.1021/jm901031h | B16-F10 | 1 |
| 19788245 | 10.1021/jm901031h | NHDF | 1 |
Data from ChEMBL 36 via Core Engine