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Compound Detail

CHEMBL5092397

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COc1ccc(/C=C/c2ccccc2NC(=O)c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5092397
Phase Preclinical
Structure Type MOL
InChI Key ZIPXQAMTXWGLCF-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.51
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O2
MW 330.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
34624824 10.1016/j.ejmech.2021.113887 Alpha-synuclein 1

Data from ChEMBL 36 via Core Engine