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Compound Detail

CHEMBL4080541

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C=CCSc1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4080541
Phase Preclinical
Structure Type MOL
InChI Key BBSXEAQRDHEFLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

207.3
MW (Da)
3.57
ALogP
3
HBA
0
HBD
12.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9NS2
MW 207.32
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -2.20

Literature References

PubMed DOI Target Context # Activities
27977197 10.1021/acs.jmedchem.6b01025 Unchecked 1
27977197 10.1021/acs.jmedchem.6b01025 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine