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Compound Detail

CHEMBL2158880

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COc1ccc(CNC(=O)Nc2cnc3ccccn3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158880
Phase Preclinical
Structure Type MOL
InChI Key JEOGCECZPFTDGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
2.02
ALogP
5
HBA
2
HBD
84.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O3
MW 324.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.06

Literature References

PubMed DOI Target Context # Activities
23040894 10.1016/j.bmc.2012.09.008 Unchecked 2

Data from ChEMBL 36 via Core Engine