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Compound Detail

CHEMBL354263

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COC(=O)c1ccc(Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354263
Phase Preclinical
Structure Type MOL
InChI Key DWSNDHBPYVVGPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
0.27
ALogP
8
HBA
0
HBD
88.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4O4
MW 328.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.11

Literature References

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

Data from ChEMBL 36 via Core Engine