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Compound Detail

CHEMBL387966

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CC(=O)OCO/N=[N+](\[O-])N(C)CCOC(=O)c1ccccc1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL387966
Phase Preclinical
Structure Type MOL
InChI Key UHPWNFBIXMRFMH-VLGSPTGOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
1.03
ALogP
9
HBA
0
HBD
129.8
PSA (Ų)
0.12
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O8
MW 369.33
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
17509888 10.1016/j.bmc.2007.05.009 Rattus norvegicus 2
17509888 10.1016/j.bmc.2007.05.009 Unchecked 2
17509888 10.1016/j.bmc.2007.05.009 Prostaglandin G/H synthase 2 1
17509888 10.1016/j.bmc.2007.05.009 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine