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Compound Detail

CHEMBL432054

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CCOC(=O)C(=CC=C(SC)C(=O)c1ccccc1)N(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL432054
Phase Preclinical
Structure Type MOL
InChI Key RSJVBANROGGYRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.12
ALogP
5
HBA
0
HBD
46.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO3S
MW 319.43
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.23

Literature References

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

Data from ChEMBL 36 via Core Engine