Compound Detail
CHEMBL2181277
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Basic Information
| ChEMBL ID | CHEMBL2181277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUQCQOSQMZKFIE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
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 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 730.0 | nM | 6.14 | Cytotoxicity against human H1299 cells after 3 days by MTS assay | 23186287 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 1360.0 | nM | 5.87 | Inhibition of HIF-1alpha in human HRE-A549 cells pre-incubated for 1 hr before e... | 30252468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26392052 | 10.1016/j.bmcl.2015.07.063 | Signal transducer and activator of transcription 3 | 2 |
| 23186287 | 10.1021/jm301488q | NON-PROTEIN TARGET | 1 |
| 30252468 | 10.1021/acs.jmedchem.8b00971 | Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine