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Compound Detail

CHEMBL5205137

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O=C(c1nccs1)c1cn(Cc2ccccc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5205137
Phase Preclinical
Structure Type MOL
InChI Key XTMALSKPTFHURW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
4.38
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2OS
MW 318.40
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.26

Literature References

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

Data from ChEMBL 36 via Core Engine