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Compound Detail

CHEMBL32218

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CC(=O)Nc1ccc2c(c1)COc1ccc(CC(=O)O)cc1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32218
Phase Preclinical
Structure Type MOL
InChI Key QNWGYBCPFHHVLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.96
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO5
MW 313.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
3488405 10.1021/jm00158a020 Rattus norvegicus 3
3488405 10.1021/jm00158a020 Prostaglandin G/H synthase (cyclooxygenase) 1
3488405 10.1021/jm00158a020 Mus musculus 1

Data from ChEMBL 36 via Core Engine