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Compound Detail

CHEMBL5421814

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COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCN1CCC(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5421814
Phase Preclinical
Structure Type MOL
InChI Key ZHISPLOVNLAXIS-VMPITWQZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
5.59
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35NO5
MW 477.60
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.72

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha inhibitor
CHEMBL5909
 IC50 5.4 5.4 3990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hypoxia-inducible factor 1-alpha inhibitor IC50 = 3990.0 nM 5.4 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