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Compound Detail

CHEMBL5187691

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O=C(O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5187691
Phase Preclinical
Structure Type MOL
InChI Key FWXYUFQKPJMQEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
2.55
ALogP
4
HBA
2
HBD
83.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H8N2O3S
MW 272.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
35416668 10.1021/acs.jmedchem.2c00208 Aryl hydrocarbon receptor 2

Data from ChEMBL 36 via Core Engine