Compound Detail
CHEMBL5272424
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CC(C)COc1cc(C(=O)Nc2ccc(C(=O)O)cc2OC(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL5272424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTKPSNIDFBEXMI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
607.7
MW (Da)
6.65
ALogP
8
HBA
3
HBD
166.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha CHEMBL3885588 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of hypoxia-induced HIF1alpha/P300 interaction (unknown origin) incuba... | 33423841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33423841 | 10.1016/j.ejmech.2020.113015 | Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine