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Compound Detail

CHEMBL2047865

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COc1ccc(/C=C2\SC(=O)NC2=O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2047865
Phase Preclinical
Structure Type MOL
InChI Key FVXJTXWHZJSCSP-YHYXMXQVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.03
ALogP
5
HBA
1
HBD
64.6
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 C12H11NO4S
MW 265.29
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
28817930 10.1021/acs.jmedchem.7b00606 Carbonic anhydrase 2 5
22301213 10.1016/j.ejmech.2012.01.019 Tyrosinase 1

Data from ChEMBL 36 via Core Engine