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Compound Detail

CHEMBL4473863

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O=S(=O)(CSc1nnc(Br)n1Cc1ccc(Br)c2ccccc12)Nc1ccc(Br)nc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4473863
Phase Preclinical
Structure Type MOL
InChI Key UNRMEBMYTXJTPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

727.1
MW (Da)
6.42
ALogP
7
HBA
1
HBD
89.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13Br4N5O2S2
MW 727.10
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
 IC50 5.27 5.27 5410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 12 IC50 = 5410.0 nM 5.27 Inhibition of human URAT1 expressed in HEK293 cells assessed as reduction in [8-... 30579795

Literature References

PubMed DOI Target Context # Activities
30579795 10.1016/j.bmcl.2018.12.036 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine