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Compound Detail

CHEMBL4643285

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CCn1cnc2c(Oc3ccc(/C=C/C(=O)c4ccc(NS(=O)(=O)c5ccccc5C)cc4)cc3)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4643285
Phase Preclinical
Structure Type MOL
InChI Key NXHOXBQJXORMQB-LICLKQGHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.6
MW (Da)
5.64
ALogP
8
HBA
1
HBD
116.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25N5O4S
MW 539.62
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
30496988 10.1016/j.ejmech.2018.11.017 Chikungunya virus 1

Data from ChEMBL 36 via Core Engine