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Compound Detail

CHEMBL1760119

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O=C(/C=C/[C@H]1C[C@@H](O)[C@@H](O)C1)Nc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760119
Phase Preclinical
Structure Type MOL
InChI Key VFVQCRGIPVCSLU-KRDPATHVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
0.71
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.69
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 C13H16N2O3
MW 248.28
Aromatic Rings 1
Heavy Atoms 18

Literature References

PubMed DOI Target Context # Activities
21334120 10.1016/j.ejmech.2011.01.049 Drosophila 1
21334120 10.1016/j.ejmech.2011.01.049 ADMET 1

Data from ChEMBL 36 via Core Engine