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Compound Detail

CHEMBL5618811

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O=C(O)/C=C/Cc1cccc2c1OC(c1ccc(Br)c3ccccc13)CC2=O

Basic Information

ChEMBL ID CHEMBL5618811
Phase Preclinical
Structure Type MOL
InChI Key HIUCOKHOHORBHA-ONNFQVAWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.3
MW (Da)
5.49
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17BrO4
MW 437.29
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.93

Activity Summary

IC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 6.14 6.14 730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39142150 10.1016/j.ejmech.2024.116753 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine