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Compound Detail

CHEMBL4127947

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O=C(/C=C/c1ccc(O)cc1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4127947
Phase Preclinical
Structure Type MOL
InChI Key UUXSHXGLOWJTDV-PXYYCUNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
1.63
ALogP
5
HBA
5
HBD
127.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO6
MW 343.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
29706525 10.1016/j.bmc.2018.04.044 Amyloid-beta precursor protein 2

Data from ChEMBL 36 via Core Engine