Compound Detail
CHEMBL574632
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Basic Information
| ChEMBL ID | CHEMBL574632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KISQOEIGLAOVHL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.29
ALogP
5
HBA
1
HBD
52.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.62 | 5.61 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 2400.0 | nM | 5.62 | Cytotoxicity against human HeLa cells after 72 hrs by XTT assay | 19939521 |
| HeLa | IC50 | = | 2500.0 | nM | 5.6 | Cytotoxicity against human HeLa cells after 72 hrs by XTT assay | 19647439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19939521 | 10.1016/j.ejmech.2009.10.047 | HeLa | 1 |
| 19939521 | 10.1016/j.ejmech.2009.10.047 | Unchecked | 1 |
| 19939521 | 10.1016/j.ejmech.2009.10.047 | A549 | 1 |
| 19647439 | 10.1016/j.bmc.2009.07.012 | Unchecked | 1 |
| 19647439 | 10.1016/j.bmc.2009.07.012 | HeLa | 1 |
| 19647439 | 10.1016/j.bmc.2009.07.012 | A549 | 1 |
Data from ChEMBL 36 via Core Engine