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Compound Detail

CHEMBL114242

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CC(=O)Sc1c(F)cccc1C(=O)N(CC(=O)O)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114242
Phase Preclinical
Structure Type MOL
InChI Key NDVGFZFKUXBQBV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.93
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.83
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 C16H18FNO4S
MW 339.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.17

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine