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Compound Detail

CHEMBL113276

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COc1cccc(C(=O)N(CC(=O)O)C2CCCC2)c1S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113276
Phase Preclinical
Structure Type MOL
InChI Key GJYQKLYQLSFBPR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.45
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19NO4S
MW 309.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2983075 10.1021/jm00381a012 Angiotensin-converting enzyme 3
2983075 10.1021/jm00381a012 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine