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Compound Detail

CHEMBL4639000

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O=C(O)c1ccc(CO[N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4639000
Phase Preclinical
Structure Type MOL
InChI Key NXYIECYJINSHGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
1.09
ALogP
4
HBA
1
HBD
89.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H7NO5
MW 197.15
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
32435401 10.1021/acsmedchemlett.9b00661 Sigma non-opioid intracellular receptor 1 2
32435401 10.1021/acsmedchemlett.9b00661 Sigma intracellular receptor 2 2
32435401 10.1021/acsmedchemlett.9b00661 MCF7 2

Data from ChEMBL 36 via Core Engine