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Compound Detail

CHEMBL5410721

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COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCCN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5410721
Phase Preclinical
Structure Type MOL
InChI Key BWJJKQRMFKLMME-JXMROGBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.6
MW (Da)
5.35
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33NO5
MW 463.57
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.72

Activity Summary

IC50 1 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha inhibitor
CHEMBL5909
 IC50 5.53 5.53 2970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hypoxia-inducible factor 1-alpha inhibitor IC50 = 2970.0 nM 5.53 Inhibition of HIF-1 alpha transcriptional activity in human U-251 cells incubate... 36774697

Literature References

PubMed DOI Target Context # Activities
36774697 10.1016/j.ejmech.2023.115171 Hypoxia-inducible factor 1-alpha inhibitor 1

Data from ChEMBL 36 via Core Engine