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Compound Detail

CHEMBL5612331

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O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5612331
Phase Preclinical
Structure Type MOL
InChI Key GSGZVRQVFYSTPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
1.85
ALogP
5
HBA
3
HBD
125.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O5S
MW 385.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
39067439 10.1016/j.ejmech.2024.116705 Fatty acid-binding protein, liver 2

Data from ChEMBL 36 via Core Engine