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Compound Detail

CHEMBL5267727

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CC(Sc1ccncc1C(=O)N1CCOc2ccccc21)C(=O)O

Basic Information

ChEMBL ID CHEMBL5267727
Phase Preclinical
Structure Type MOL
InChI Key PUSBSYAJLFYXKU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
2.69
ALogP
5
HBA
1
HBD
79.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O4S
MW 344.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 4.95 4.95 11120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36219903 10.1016/j.ejmech.2022.114816 Mus musculus 2
36219903 10.1016/j.ejmech.2022.114816 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine