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Compound Detail

CHEMBL356997

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CC(C)c1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356997
Phase Preclinical
Structure Type MOL
InChI Key HNCXIINJFVYAGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
4.46
ALogP
4
HBA
1
HBD
63.2
PSA (Ų)
0.84
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 C19H21NO3S2
MW 375.51
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.71

Literature References

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

Data from ChEMBL 36 via Core Engine