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Compound Detail

CHEMBL4799421

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CNC(=O)c1cccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799421
Phase Preclinical
Structure Type MOL
InChI Key ORDRMEDXLREPCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
3.56
ALogP
4
HBA
2
HBD
88.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN3O3S
MW 401.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
31911293 10.1016/j.ejmech.2019.112012 Plasmodium falciparum 1
31911293 10.1016/j.ejmech.2019.112012 Unchecked 1

Data from ChEMBL 36 via Core Engine