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Compound Detail

CHEMBL187871

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CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187871
Phase Preclinical
Structure Type MOL
InChI Key OCJDVNYKMFSTJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
4.70
ALogP
6
HBA
1
HBD
96.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O4S2
MW 420.56
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
15537354 10.1021/jm049715t Angiotensin II receptor (AT-1) type-1 1
15537354 10.1021/jm049715t Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine