Compound Detail
CHEMBL222879
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CN(C)CCNC(=O)c1ccc(O)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL222879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYDMGMUJOKSGPN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
4.17
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AGS CHEMBL613860 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AGS | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of hypoxia induced HIF1 transcriptional activity in human AGS cells b... | 17328532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17328532 | 10.1021/jm0610292 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 17328532 | 10.1021/jm0610292 | AGS | 1 |
Data from ChEMBL 36 via Core Engine