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Compound Detail

CHEMBL144441

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CS(=O)(=O)Nc1cc2c(cc1OC1CCCC1)C(=O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144441
Phase Preclinical
Structure Type MOL
InChI Key RDJXLQRLYQNOSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.51
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19NO4S
MW 309.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
8523403 10.1021/jm00025a007 Prostaglandin G/H synthase 2 1
8523403 10.1021/jm00025a007 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine