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Compound Detail

CHEMBL397256

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COc1cc(O)c(C(=O)/C=C/c2ccccc2Br)c(OC)c1

Basic Information

ChEMBL ID CHEMBL397256
Phase Preclinical
Structure Type MOL
InChI Key BYKAEYKAMRZJLD-BQYQJAHWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

363.2
MW (Da)
4.07
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15BrO4
MW 363.21
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.26

Activity Summary

IC50 1 meas. best 4.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.94 4.94 11600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 11600.0 nM 4.94 Inhibition of cobalt chloride-induced HIF-1 activation expressed in mouse NIH3T3... 21112783

Literature References

Data from ChEMBL 36 via Core Engine