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Compound Detail

CHEMBL5630013

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CCCCC1OC(=O)c2cc(-n3nc(-c4ccccc4O)cc3C)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630013
Phase Preclinical
Structure Type MOL
InChI Key KSGDNCVXQYKSOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
4.96
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O3
MW 362.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
36857812 10.1016/j.ejmech.2023.115216 Amine oxidase [flavin-containing] A 2
36857812 10.1016/j.ejmech.2023.115216 Amyloid-beta precursor protein 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