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Compound Detail

CHEMBL5437905

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O=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2c(Cl)ncnc21

Basic Information

ChEMBL ID CHEMBL5437905
Phase Preclinical
Structure Type MOL
InChI Key UKOHSUSNXIUBFW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.6
MW (Da)
3.79
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H6Cl3N3O2
MW 342.57
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.7 5.7 1980.0 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