Compound Detail
CHEMBL3327004
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Basic Information
| ChEMBL ID | CHEMBL3327004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSERLPKUHVKZRE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
6.32
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.32 | 4.32 | 47940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 47940.0 | nM | 4.32 | Anticancer activity against human A549 cells by HTS assay | 25139569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25139569 | 10.1016/j.bmcl.2014.08.006 | NON-PROTEIN TARGET | 9 |
| 25139569 | 10.1016/j.bmcl.2014.08.006 | A549 | 1 |
| 25139569 | 10.1016/j.bmcl.2014.08.006 | NCI-H157 | 1 |
| 25139569 | 10.1016/j.bmcl.2014.08.006 | NCI-H1792 | 1 |
| 25139569 | 10.1016/j.bmcl.2014.08.006 | NCI-H522 | 1 |
| 25139569 | 10.1016/j.bmcl.2014.08.006 | HOP-62 | 1 |
| 25139569 | 10.1016/j.bmcl.2014.08.006 | M14 | 1 |
| 25139569 | 10.1016/j.bmcl.2014.08.006 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine