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Compound Detail

CHEMBL4799447

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O=S(=O)(Nc1cc(-c2ccncc2)cnc1Cl)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799447
Phase Preclinical
Structure Type MOL
InChI Key ZKJZIPJKNFYHRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.8
MW (Da)
3.60
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClN3O2S
MW 345.81
Aromatic Rings 3
Heavy Atoms 23
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