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Compound Detail

CHEMBL459798

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CCC1(Cc2ccccc2)OS(=O)(=O)C=C1OS(=O)(=O)c1ccc(C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459798
Phase Preclinical
Structure Type MOL
InChI Key ADAPUCPSFCDSTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.29
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O6S2
MW 408.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
19226140 10.1021/jm8014662 Human betaherpesvirus 5 2
19226140 10.1021/jm8014662 Human alphaherpesvirus 3 2
19226140 10.1021/jm8014662 HEL 2

Data from ChEMBL 36 via Core Engine