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Compound Detail

CHEMBL4755814

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C[C@H](CN)NC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4755814
Phase Preclinical
Structure Type MOL
InChI Key RICYMDRTRCOCTH-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
2.67
ALogP
6
HBA
3
HBD
127.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClN5O3S
MW 445.93
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.53

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