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Compound Detail

CHEMBL1946410

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C[C@H](CO)NC1=NS(=O)(=O)c2ccc(Br)cc2N1

Basic Information

ChEMBL ID CHEMBL1946410
Phase Preclinical
Structure Type MOL
InChI Key GAOCMQAPGNIFEG-ZCFIWIBFSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

334.2
MW (Da)
0.89
ALogP
5
HBA
3
HBD
90.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12BrN3O3S
MW 334.19
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.89

Activity Summary

EC50 1 meas.
IC50 1 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-binding cassette sub-family C member 8
CHEMBL1944490
IC50 5.78 5.78 1670.0 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