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Compound Detail

CHEMBL4594129

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O=C(N[C@@H](Cc1ccccc1)C(=O)NCC(O)CF)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594129
Phase Preclinical
Structure Type MOL
InChI Key DZQJOLIBPXPMPG-ZVAWYAOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
1.97
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FN2O4
MW 374.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.39

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