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Compound Detail

CHEMBL5285369

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COc1ccc(C(=O)/C=C/c2ccc(O/N=C3\CCc4ccccc43)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285369
Phase Preclinical
Structure Type MOL
InChI Key LDKBJOMKONVJBB-AGTOSCPPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
5.32
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21NO3
MW 383.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
32920430 10.1016/j.ejmech.2020.112650 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine