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Compound Detail

CHEMBL4162076

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CCCCOC(=O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162076
Phase Preclinical
Structure Type MOL
InChI Key OABAZWMACMWZFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

284.2
MW (Da)
2.17
ALogP
7
HBA
1
HBD
132.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N2O7
MW 284.22
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
29348811 10.1021/acsmedchemlett.7b00431 Estrogen receptor 3
29348811 10.1021/acsmedchemlett.7b00431 Staphylococcus aureus 1
29348811 10.1021/acsmedchemlett.7b00431 MCF7 1

Data from ChEMBL 36 via Core Engine