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Compound Detail

CHEMBL192081

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COc1ccc2c(c1)c(CC(=O)OCO/N=[N+](\[O-])N1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL192081
Phase Preclinical
Structure Type MOL
InChI Key LCHVKQXIWFWJBC-WCTVFOPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

500.9
MW (Da)
4.25
ALogP
8
HBA
0
HBD
108.4
PSA (Ų)
0.11
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25ClN4O6
MW 500.94
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.74

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