Compound Detail
CHEMBL2181280
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Basic Information
| ChEMBL ID | CHEMBL2181280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUQCQOSQMZKFIE-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.88
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 490.0 | nM | 6.31 | Cytotoxicity against human H1299 cells after 3 days by MTS assay | 23186287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23186287 | 10.1021/jm301488q | Danio rerio | 6 |
| 23186287 | 10.1021/jm301488q | Heat shock protein HSP 90-beta | 3 |
| 23186287 | 10.1021/jm301488q | NON-PROTEIN TARGET | 1 |
| 26457742 | 10.1016/j.ejmech.2015.09.033 | Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine