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Compound Detail

CHEMBL490070

BENAXIBINE
🧪 Phase II
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🧪 Phase II
O=C(O)c1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490070
Name BENAXIBINE
Phase Phase II
Structure Type MOL
InChI Key HLDUHCYBUVVDOT-GZBOUJLJSA-N

Known Names

Benaxibina Benaxibine P-(d-xylosylamino)benzoic acid
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
3
Known Names

Molecular Properties

269.2
MW (Da)
-0.76
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product

Extended Properties

Molecular Formula C12H15NO6
MW 269.25
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.64

Literature References

PubMed DOI Target Context # Activities
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine