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Compound Detail

CHEMBL4780054

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CNC(=O)c1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4780054
Phase Preclinical
Structure Type MOL
InChI Key IJKCEIDSKDJGTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
2.89
ALogP
4
HBA
3
HBD
104.0
PSA (Ų)
0.58
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 C17H15ClN4O3S
MW 390.85
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.56

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