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Compound Detail

CHEMBL279608

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CC(C)(C)c1cc(-c2nsc(NS(C)(=O)=O)n2)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL279608
Phase Preclinical
Structure Type MOL
InChI Key WPBNNLYXWQKBRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
3.88
ALogP
6
HBA
2
HBD
92.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N3O3S2
MW 383.54
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
10197960 10.1021/jm980570y Prostaglandin G/H synthase 2 1
10197960 10.1021/jm980570y Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine