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Compound Detail

CHEMBL3127761

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COc1cc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127761
Phase Preclinical
Structure Type MOL
InChI Key GWRRSDYREVCXHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.54
ALogP
7
HBA
3
HBD
135.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O7
MW 387.35
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.70

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