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Compound Detail

CHEMBL5404184

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COc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OCCN1CCCC1

Basic Information

ChEMBL ID CHEMBL5404184
Phase Preclinical
Structure Type MOL
InChI Key LSADYJMTVGUMNS-RMKNXTFCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
4.96
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31NO5
MW 449.55
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.79

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hypoxia-inducible factor 1-alpha inhibitor
CHEMBL5909
IC50 5.62 5.62 2380.0 1

Activity Data Samples

Top measurements by pChEMBL value

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