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Compound Detail

CHEMBL1650611

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Oc1cc(O)nc(S)n1

Basic Information

ChEMBL ID CHEMBL1650611
Phase Preclinical
Structure Type MOL
InChI Key STUQITWXBMZUGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

144.2
MW (Da)
0.18
ALogP
5
HBA
3
HBD
66.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H4N2O2S
MW 144.15
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 3.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain adjacent to zinc finger domain protein 2B
CHEMBL1741220
IC50 3.55 3.55 279000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24304323 10.1021/jm401582c Bromodomain adjacent to zinc finger domain protein 2B 7
21189019 10.1021/jm101266s Lethal factor 1
21189019 10.1021/jm101266s Polyunsaturated fatty acid 5-lipoxygenase 1
21189019 10.1021/jm101266s Stromelysin-1 1
21189019 10.1021/jm101266s Interstitial collagenase 1
21189019 10.1021/jm101266s Matrix metalloproteinase-9 1
21189019 10.1021/jm101266s Neutrophil collagenase 1
21189019 10.1021/jm101266s 72 kDa type IV collagenase 1
21189019 10.1021/jm101266s Tyrosinase 1

Data from ChEMBL 36 via Core Engine