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Compound Detail

CHEMBL4760448

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CN(C)[C@H]1CCN(C(=O)c2cncc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760448
Phase Preclinical
Structure Type MOL
InChI Key LIDDERSJBUDTQF-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

486.0
MW (Da)
3.37
ALogP
6
HBA
1
HBD
95.5
PSA (Ų)
0.54
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 C23H24ClN5O3S
MW 486.00
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.88

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