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Compound Detail

CHEMBL2113972

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NS(=O)(=O)c1ccc(CNc2nc(-c3ccsc3)nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2113972
Phase Preclinical
Structure Type MOL
InChI Key XAYZAAZFNXFGQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
3.62
ALogP
6
HBA
2
HBD
98.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4O2S2
MW 396.50
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.19

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL2113921 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine