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Compound Detail

CHEMBL164393

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CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(S(C)(=O)=O)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL164393
Phase Preclinical
Structure Type MOL
InChI Key CZXXPASTKDXVRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.12
ALogP
6
HBA
0
HBD
78.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O4S
MW 370.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
11859001 10.1016/s0960-894x(02)00013-6 Prostaglandin G/H synthase 1 2
11859001 10.1016/s0960-894x(02)00013-6 Prostaglandin G/H synthase 2 1
11859001 10.1016/s0960-894x(02)00013-6 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine