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Compound Detail

CHEMBL1883743

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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.O

Basic Information

ChEMBL ID CHEMBL1883743
Phase Preclinical
Structure Type MOL
InChI Key PGHSKTKIQIBATG-ZAAWVBGYSA-N
Parent Compound CHEMBL226335
Active Moiety CHEMBL226335
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

610.5
MW (Da)
-1.69
ALogP
16
HBA
10
HBD
269.4
PSA (Ų)
0.14
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32O17
MW 628.54
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness 2.01

Literature References

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

Data from ChEMBL 36 via Core Engine