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Compound Detail

CHEMBL172619

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CCOC(=O)CCCn1c(=O)c2nc(-c3ccccc3)cnc2n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172619
Phase Preclinical
Structure Type MOL
InChI Key CXZBCRSXQWGRFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
1.50
ALogP
8
HBA
0
HBD
96.1
PSA (Ų)
0.61
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 C19H20N4O4
MW 368.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.12

Literature References

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

Data from ChEMBL 36 via Core Engine