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Compound Detail

CHEMBL584119

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c1ccc(COc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3-c3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL584119
Phase Preclinical
Structure Type MOL
InChI Key XURMEZUDHPYADJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
4.82
ALogP
7
HBA
1
HBD
93.9
PSA (Ų)
0.39
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 C26H19N7O
MW 445.49
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
19819138 10.1016/j.bmcl.2009.09.087 Unchecked 1

Data from ChEMBL 36 via Core Engine