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Compound Detail

CHEMBL4443754

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CS(=O)(=O)Nc1ccc(N2CCCCC2)c2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4443754
Phase Preclinical
Structure Type MOL
InChI Key ILDGEMJNSIWAPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
2.60
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O2S
MW 305.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
30628789 10.1021/acs.jmedchem.8b01868 Lactoylglutathione lyase 1

Data from ChEMBL 36 via Core Engine