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Compound Detail

CHEMBL170395

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CCOC(=O)CCCn1c(=O)c2nccnc2n(Cc2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170395
Phase Preclinical
Structure Type MOL
InChI Key YCNOKTUYVZHFCZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
1.34
ALogP
8
HBA
0
HBD
96.1
PSA (Ų)
0.58
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 C19H20N4O4
MW 368.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.04

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