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Compound Detail

CHEMBL4764951

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O=C(Nc1cccc(F)c1)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4764951
Phase Preclinical
Structure Type MOL
InChI Key PZNDVNABOKVSTC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

482.9
MW (Da)
4.99
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16ClFN4O3S
MW 482.92
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.99

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