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Compound Detail

CHEMBL5417202

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Cc1ccc2c(cnn2C(=O)c2cc(Cl)c(O)c(Cl)c2)c1

Basic Information

ChEMBL ID CHEMBL5417202
Phase Preclinical
Structure Type MOL
InChI Key QKJCREHZGITZMY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.2
MW (Da)
4.05
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10Cl2N2O2
MW 321.16
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 5.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.74 5.74 1810.0 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