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Compound Detail

CHEMBL4476298

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CCCOc1c(-c2ccc3c(c2)OCO3)oc2cc(OC)ccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4476298
Phase Preclinical
Structure Type MOL
InChI Key MMGZIPGOSYBDQG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.99
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18O6
MW 354.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
30996791 10.1021/acsmedchemlett.8b00565 Trypanosoma brucei 2
30996791 10.1021/acsmedchemlett.8b00565 THP-1 1
30996791 10.1021/acsmedchemlett.8b00565 Voltage-gated inwardly rectifying potassium channel KCNH2 1
30996791 10.1021/acsmedchemlett.8b00565 786-0 1

Data from ChEMBL 36 via Core Engine