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Compound Detail

CHEMBL5278304

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CC(C)(Sc1ccncc1C(=O)N1CCc2ccccc2C1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278304
Phase Preclinical
Structure Type MOL
InChI Key IORHURXRLNIFSG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.24
ALogP
4
HBA
1
HBD
70.5
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 C19H20N2O3S
MW 356.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
 IC50 4.86 4.86 13670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 12 IC50 = 13670.0 nM 4.86 Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cell... 36219903

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