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Compound Detail

CHEMBL479029

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Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL479029
Phase Preclinical
Structure Type MOL
InChI Key DSKNQHOWHPVKPY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.0
MW (Da)
6.15
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClNO2S
MW 401.96
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
18610998 10.1021/jm800412d Yellow fever virus 1

Data from ChEMBL 36 via Core Engine