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Compound Detail

CHEMBL456015

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CCC1(Cc2ccccc2)OS(=O)(=O)C=C1OCC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456015
Phase Preclinical
Structure Type MOL
InChI Key UTTQGATTXYGHBP-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
2.12
ALogP
5
HBA
0
HBD
76.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO4S
MW 293.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.49

Activity Summary

EC50 3 meas.

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