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Compound Detail

CHEMBL389526

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COc1ccc(CN2C(=O)c3nccnc3C2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL389526
Phase Preclinical
Structure Type MOL
InChI Key BYQRTHWQMNEOHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
1.29
ALogP
6
HBA
0
HBD
81.6
PSA (Ų)
0.79
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 C15H13N3O4
MW 299.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
17234303 10.1016/j.ejmech.2006.12.003 Vero 1

Data from ChEMBL 36 via Core Engine