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Compound Detail

CHEMBL2158179

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O=C(Nc1cnc2ccccn2c1=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158179
Phase Preclinical
Structure Type MOL
InChI Key RVETYHZQVZQIGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
2.44
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.81
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 C16H13N3O3
MW 295.30
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
23040894 10.1016/j.bmc.2012.09.008 Unchecked 2
- 10.6019/CHEMBL5305021 Aminopeptidase 1

Data from ChEMBL 36 via Core Engine