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Compound Detail

CHEMBL171272

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CCOC(=O)CCCn1c(=O)c2nc(CC)c(CC)nc2n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171272
Phase Preclinical
Structure Type MOL
InChI Key XYAAUTJXSPAZMH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
0.96
ALogP
8
HBA
0
HBD
96.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N4O4
MW 348.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.91

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine