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Compound Detail

CHEMBL3127633

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COc1cccc(N(C)c2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127633
Phase Preclinical
Structure Type MOL
InChI Key VETUUOAQKBFUTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
3.55
ALogP
5
HBA
2
HBD
108.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O5
MW 341.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
24530031 10.1016/j.bmc.2014.01.047 Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine