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Compound Detail

CHEMBL3919891

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COc1ccccc1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL3919891
Phase Preclinical
Structure Type MOL
InChI Key UCVGALSSEJFSPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.8
MW (Da)
3.02
ALogP
4
HBA
1
HBD
79.2
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11ClN2O3S
MW 322.77
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.28

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 6.7 6.7 199.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00191B Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine