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Compound Detail

CHEMBL2158180

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O=C(Nc1cnc2ccccn2c1=O)OCc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158180
Phase Preclinical
Structure Type MOL
InChI Key BDDVHERCXSDNMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
1.84
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N4O3
MW 296.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.27

Literature References

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

Data from ChEMBL 36 via Core Engine