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Compound Detail

CHEMBL73688

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CC(C)(C)N(O)c1ccc(C(=O)Nc2nccs2)cc1

Basic Information

ChEMBL ID CHEMBL73688
Phase Preclinical
Structure Type MOL
InChI Key KFSUTNKFDHIPKP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.39
ALogP
5
HBA
2
HBD
65.5
PSA (Ų)
0.85
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 C14H17N3O2S
MW 291.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gerbillinae
CHEMBL612671
IC50 5.84 5.84 1440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gerbillinae IC50 = 1440.0 nM 5.84 In vitro inhibitory activity against lipid peroxidation in gerbils 12824016

Literature References

PubMed DOI Target Context # Activities
12824016 10.1016/s0960-894x(03)00444-x Gerbillinae 3

Data from ChEMBL 36 via Core Engine