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Compound Detail

CHEMBL368515

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Cn1c(=O)n(CCCC(=O)O)c(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368515
Phase Preclinical
Structure Type MOL
InChI Key WVCNHEJUXRBIMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
0.56
ALogP
5
HBA
1
HBD
81.3
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 C13H14N2O4
MW 262.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.91

Literature References

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

Data from ChEMBL 36 via Core Engine