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Compound Detail

CHEMBL5071501

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O=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1ccc(Cl)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5071501
Phase Preclinical
Structure Type MOL
InChI Key YMKPEHFLZPRBEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.9
MW (Da)
5.23
ALogP
5
HBA
1
HBD
89.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13ClF3NO5S2
MW 491.90
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
34718128 10.1016/j.bmcl.2021.128421 Unchecked 1

Data from ChEMBL 36 via Core Engine