Compound Detail
CHEMBL224964
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O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)NCCc2ccncc2)c1
Basic Information
| ChEMBL ID | CHEMBL224964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABTOIEPZWXWKKT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
5.54
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.40
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AGS CHEMBL613860 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AGS | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of hypoxia induced HIF1 transcriptional activity in human AGS cells b... | 17328532 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 8200.0 | nM | 5.09 | 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