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Compound Detail

CHEMBL175468

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O=C(O)CSCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175468
Phase Preclinical
Structure Type MOL
InChI Key VPOOWZLOGKXBEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.41
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO4S
MW 357.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
6288947 10.1021/jm00350a023 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine