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Compound Detail

CHEMBL5759569

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CC(C)(Sc1ccncc1-c1ccc(S(C)(=O)=O)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5759569
Phase Preclinical
Structure Type MOL
InChI Key WCPXKUXAICZFLQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.11
ALogP
5
HBA
1
HBD
84.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO4S2
MW 351.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.76

Activity Summary

EC50 2 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
 EC50 6.56 6.56 275.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 12 EC50 = 275.0 nM 6.56 URAT1-Model Assay: HEK293 human embryonic kidney cells (ATCC# CRL-1573) were pro... -
Solute carrier family 22 member 12 EC50 = 275.0 nM 6.56 URAT1-Model Assay: HEK293 human embryonic kidney cells (ATCC #CRL-1573) were pro... -

Data from ChEMBL 36 via Core Engine