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Compound Detail

CHEMBL1945808

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COCC(C)NC1=NS(=O)(=O)c2cc(Cl)ccc2N1

Basic Information

ChEMBL ID CHEMBL1945808
Phase Preclinical
Structure Type MOL
InChI Key RWMHXAKDIXTWCN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.8
MW (Da)
1.43
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14ClN3O3S
MW 303.77
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 4.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-binding cassette sub-family C member 8
CHEMBL1944490
IC50 4.41 4.41 38900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22077416 10.1021/jm200786z ATP-binding cassette sub-family C member 8 4
22077416 10.1021/jm200786z Molecular identity unknown 1
22077416 10.1021/jm200786z Unchecked 1

Data from ChEMBL 36 via Core Engine