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Compound Detail

CHEMBL434725

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CC(C)Cc1ccc(C(C)C(=O)OCO/N=[N+](\[O-])N(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434725
Phase Preclinical
Structure Type MOL
InChI Key GUPNQDAVUGSUQK-ZPHPHTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
2.86
ALogP
5
HBA
0
HBD
77.2
PSA (Ų)
0.18
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N3O4
MW 323.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
15943479 10.1021/jm050211k Unchecked 3
15943479 10.1021/jm050211k Rattus norvegicus 2
15943479 10.1021/jm050211k Prostaglandin G/H synthase 1 1
15943479 10.1021/jm050211k Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine