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Compound Detail

CHEMBL4546311

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COc1ccc(CSc2cc(Cl)cn3c([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)nc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4546311
Phase Preclinical
Structure Type MOL
InChI Key UAVJZLBTHZGJSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

504.0
MW (Da)
5.17
ALogP
8
HBA
0
HBD
103.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClN3O5S2
MW 503.99
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.67

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