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Compound Detail

CHEMBL40535

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CCOC(=O)[C@H](CSc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40535
Phase Preclinical
Structure Type MOL
InChI Key DGPRMEPFNWGGKJ-OALUTQOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
2.73
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.46
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 C23H26N2O5S
MW 442.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
2999394 10.1021/jm00149a010 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine