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Compound Detail

CHEMBL597529

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CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3O)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL597529
Phase Preclinical
Structure Type MOL
InChI Key PRRYYVOHGAYBJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
3.50
ALogP
8
HBA
2
HBD
114.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O6S2
MW 434.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
20045642 10.1016/j.bmcl.2009.12.060 Unchecked 1

Data from ChEMBL 36 via Core Engine