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Compound Detail

CHEMBL271620

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CS(=O)(=O)Cc1cc(N2CCCC2)nc(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL271620
Phase Preclinical
Structure Type MOL
InChI Key XVESHLWLQJLGGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.29
ALogP
5
HBA
0
HBD
63.2
PSA (Ų)
0.87
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 C16H19N3O2S
MW 317.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
18311908 10.1021/jm701121y Cytochrome P450 2C9 2
18311908 10.1021/jm701121y Cytochrome P450 3A4 2

Data from ChEMBL 36 via Core Engine