Compound Detail
CHEMBL374484
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O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)NCc2ccco2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL374484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBQHSCNOUGKJGD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
5.40
ALogP
5
HBA
3
HBD
100.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AGS CHEMBL613860 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AGS | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of hypoxia induced HIF1 transcriptional activity in human AGS cells b... | 17328532 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 12600.0 | nM | 4.9 | Inhibition of hypoxia induced HIF1 transcriptional activity in human Hep3B cells... | 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