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Compound Detail

CHEMBL5631168

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CCCCC1OC(=O)c2cc(N3N=C(c4ccccc4O)CC3=O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5631168
Phase Preclinical
Structure Type MOL
InChI Key UCBAHRRWMGFRGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.93
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O4
MW 364.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
36857812 10.1016/j.ejmech.2023.115216 Amyloid-beta precursor protein 4
36857812 10.1016/j.ejmech.2023.115216 Amine oxidase [flavin-containing] A 2
36857812 10.1016/j.ejmech.2023.115216 Amine oxidase [flavin-containing] B 1
36857812 10.1016/j.ejmech.2023.115216 No relevant target 1

Data from ChEMBL 36 via Core Engine