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Compound Detail

CHEMBL4861994

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C/[N+]([O-])=C/c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861994
Phase Preclinical
Structure Type MOL
InChI Key MMSMKZBPIYNXKA-ALCCZGGFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

141.2
MW (Da)
1.31
ALogP
2
HBA
0
HBD
26.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H7NOS
MW 141.19
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -1.98

Literature References

PubMed DOI Target Context # Activities
34531949 10.1021/acsmedchemlett.1c00193 Leishmania amazonensis 2
34531949 10.1021/acsmedchemlett.1c00193 Leishmania infantum 2
34531949 10.1021/acsmedchemlett.1c00193 ADMET 2
34531949 10.1021/acsmedchemlett.1c00193 Peritoneal macrophage 1

Data from ChEMBL 36 via Core Engine