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Compound Detail

CHEMBL4591559

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O.O.O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4591559
Phase Preclinical
Structure Type MOL
InChI Key ZEPCRIPMALGRJR-UHFFFAOYSA-N
Parent Compound CHEMBL6246
Active Moiety CHEMBL6246
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.2
MW (Da)
1.31
ALogP
8
HBA
4
HBD
141.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10O10
MW 338.22
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 1.07

Literature References

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

Data from ChEMBL 36 via Core Engine