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Compound Detail

CHEMBL5171196

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C=CCn1cc(C(=O)c2nccs2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171196
Phase Preclinical
Structure Type MOL
InChI Key KMHVMLLTSDUFBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
3.51
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2OS
MW 268.34
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.34

Literature References

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

Data from ChEMBL 36 via Core Engine