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Compound Detail

CHEMBL5074840

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COc1ccc(Oc2cc(S(=O)(=O)C(F)(F)F)ccc2NS(=O)(=O)c2ccccc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5074840
Phase Preclinical
Structure Type MOL
InChI Key KEBUTCGKPYWXOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
4.59
ALogP
7
HBA
1
HBD
108.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18F3NO7S2
MW 517.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.13

Literature References

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

Data from ChEMBL 36 via Core Engine