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Compound Detail

CHEMBL1343

1-[4-CARBOXYPROPYL]-3,7-DIMETHYLXANTHINE
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Cn1cnc2c1c(=O)n(CCCC(=O)O)c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1343
Name 1-[4-CARBOXYPROPYL]-3,7-DIMETHYLXANTHINE
Phase Preclinical
Structure Type MOL
InChI Key WKASGTGXOGALBG-UHFFFAOYSA-N

Known Names

1-[4-Carboxypropyl]-3,7-Dimethylxanthine (Metabolite-V)
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

266.3
MW (Da)
-0.70
ALogP
7
HBA
1
HBD
99.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H14N4O4
MW 266.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.97

Literature References

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

Data from ChEMBL 36 via Core Engine