Compound Detail
CHEMBL260776
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Basic Information
| ChEMBL ID | CHEMBL260776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMUXTTVGTPYRPO-KETLNSEPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
6.04
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.91 | 4.91 | 12200.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 4.58 | 4.58 | 26300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12200.0 | nM | 4.91 | Inhibition of TNF-alpha-induced NF-kappaB activation in human HeLa cells | 18359631 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 26300.0 | nM | 4.58 | Inhibition of hypoxia-induced HIF1 activation in human AGS cells by reporter gen... | 18359631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18359631 | 10.1016/j.bmcl.2008.03.028 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 18359631 | 10.1016/j.bmcl.2008.03.028 | Unchecked | 1 |
| 18359631 | 10.1016/j.bmcl.2008.03.028 | AGS | 1 |
| 18359631 | 10.1016/j.bmcl.2008.03.028 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine