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Compound Detail

CHEMBL5429502

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CC1Cc2ccccc2N1C(=O)c1cc(Cl)c(O)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL5429502
Phase Preclinical
Structure Type MOL
InChI Key DXWTVERSFABTAS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.2
MW (Da)
4.29
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13Cl2NO2
MW 322.19
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36001935 10.1016/j.ejmech.2022.114682 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine