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Compound Detail

CHEMBL4468190

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O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(SCc3ccccc3)cc(Cl)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468190
Phase Preclinical
Structure Type MOL
InChI Key UFIGNPDJFGABPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

474.0
MW (Da)
5.16
ALogP
7
HBA
0
HBD
94.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClN3O4S2
MW 473.96
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
30655943 10.1021/acsmedchemlett.8b00347 Leishmania donovani 1
30655943 10.1021/acsmedchemlett.8b00347 No relevant target 1
30655943 10.1021/acsmedchemlett.8b00347 HepG2 1

Data from ChEMBL 36 via Core Engine