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Compound Detail

CHEMBL4529816

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CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CF
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4529816
Phase Preclinical
Structure Type MOL
InChI Key WDHYNWGBCXHVOJ-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
1.59
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21FN2O4
MW 324.35
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
27563406 10.1021/acsmedchemlett.6b00208 Cysteine protease ATG4B 2
27563406 10.1021/acsmedchemlett.6b00208 HEK-293T 1

Data from ChEMBL 36 via Core Engine