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Compound Detail

CHEMBL5282644

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Cc1ccc(/C=C/C(=O)c2ccc(O/N=C3\CCc4ccccc43)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282644
Phase Preclinical
Structure Type MOL
InChI Key VELDMZBTINAQKC-GJZCOSEASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
5.62
ALogP
3
HBA
0
HBD
38.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21NO2
MW 367.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.30

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