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Compound Detail

CHEMBL123026

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O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123026
Phase Preclinical
Structure Type MOL
InChI Key AFHJQYHRLPMKHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
-0.89
ALogP
9
HBA
7
HBD
167.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O9
MW 418.40
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 2.07

Literature References

PubMed DOI Target Context # Activities
27411733 10.1021/acs.jmedchem.6b00698 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine