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Compound Detail

CHEMBL172224

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CCCn1c(=O)n(CCCC(=O)O)c(=O)c2nccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172224
Phase Preclinical
Structure Type MOL
InChI Key NZBUNBBZLHKYLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
0.23
ALogP
7
HBA
1
HBD
107.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4O4
MW 292.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.89

Literature References

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

Data from ChEMBL 36 via Core Engine