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Compound Detail

CHEMBL328432

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CCOC(=O)C(=CC=C(C(=O)OCC)N(C)C)Sc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328432
Phase Preclinical
Structure Type MOL
InChI Key VUOUYSYRFMCPBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.23
ALogP
6
HBA
0
HBD
55.8
PSA (Ų)
0.31
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 C18H23NO4S
MW 349.45
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
2213827 10.1021/jm00172a010 Polyunsaturated fatty acid 5-lipoxygenase 2
2213827 10.1021/jm00172a010 Cyclooxygenase 1
2213827 10.1021/jm00172a010 Mus musculus 1

Data from ChEMBL 36 via Core Engine