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Compound Detail

CHEMBL4563886

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O=C(CF)CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4563886
Phase Preclinical
Structure Type MOL
InChI Key MMINGQDIKWOKRT-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.31
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 C19H19FN2O4
MW 358.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.62

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