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Compound Detail

CHEMBL1760117

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O=C(/C=C/[C@H]1C[C@@H](O)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760117
Phase Preclinical
Structure Type MOL
InChI Key KHPXQTDDHKXXDV-AQBVMBDESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
1.22
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.44
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 C14H16N2O5
MW 292.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.33

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