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Compound Detail

CHEMBL5272326

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

Basic Information

ChEMBL ID CHEMBL5272326
Phase Preclinical
Structure Type MOL
InChI Key GTZMLBLGNPOJGM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.08
ALogP
5
HBA
1
HBD
79.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O4S
MW 358.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 4.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 4.81 4.81 15350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine