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Compound Detail

CHEMBL4076132

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C=CCCSc1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4076132
Phase Preclinical
Structure Type MOL
InChI Key JNAIDUGQMDZEOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
3.96
ALogP
3
HBA
0
HBD
12.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11NS2
MW 221.35
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.75

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