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Compound Detail

CHEMBL5289782

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O=C(/C=C/c1ccccc1F)c1ccc(-n2ccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289782
Phase Preclinical
Structure Type MOL
InChI Key SRFUYXILRBAKEQ-JXMROGBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
3.91
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13FN2O
MW 292.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.70

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