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Compound Detail

CHEMBL165318

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C[C@@H]1SC(=O)[C@@]2(C)Cc3ccccc3CN2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165318
Phase Preclinical
Structure Type MOL
InChI Key LSFYYMKSZJZJFS-LKFCYVNXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
1.99
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO2S
MW 261.35
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
3009814 10.1021/jm00155a032 Angiotensin-converting enzyme 2
3009814 10.1021/jm00155a032 Angiotensin II receptor (AT-1) type-1 2

Data from ChEMBL 36 via Core Engine