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Compound Detail

CHEMBL571946

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CCc1nn(CCSP(=O)(O)O)c(=N)s1

Basic Information

ChEMBL ID CHEMBL571946
Phase Preclinical
Structure Type MOL
InChI Key FQAHPUCYBIYYRZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
0.81
ALogP
6
HBA
3
HBD
99.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H12N3O3PS2
MW 269.29
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 4.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.04 4.04 90330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 90330.0 nM 4.04 Antioxidant activity assessed as ABTS free radical scavenging activity by radica... 19502068

Literature References

PubMed DOI Target Context # Activities
19502068 10.1016/j.bmc.2009.05.039 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine