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Compound Detail

CHEMBL355433

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Cn1c(=O)n(CCCC(=O)O)c(=O)c2nsnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355433
Phase Preclinical
Structure Type MOL
InChI Key YDSYPMCBNDSKHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
-0.58
ALogP
8
HBA
1
HBD
107.1
PSA (Ų)
0.80
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 C9H10N4O4S
MW 270.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
8568809 10.1021/jm940845j Tumor necrosis factor 1

Data from ChEMBL 36 via Core Engine