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Compound Detail

CHEMBL2103782

ASPERLIN
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CC(=O)OC1C=CC(=O)OC1C1OC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2103782
Name ASPERLIN
Phase Preclinical
Structure Type MOL
InChI Key SPKNARKFCOPTSY-UHFFFAOYSA-N

Known Names

Asperlin NSC-93158 U 13,933 U 13933 U-13,933 U-13933
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
6
Known Names

Molecular Properties

212.2
MW (Da)
0.19
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Year 1966

Extended Properties

Molecular Formula C10H12O5
MW 212.20
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 2.93

Literature References

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

Data from ChEMBL 36 via Core Engine