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Compound Detail

CHEMBL4455272

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COc1ccc2c(=O)c(OC(=O)N(C)C)c(-c3ccc4c(c3)OCO4)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4455272
Phase Preclinical
Structure Type MOL
InChI Key JYNOBQMADYCLRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
3.26
ALogP
7
HBA
0
HBD
87.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17NO7
MW 383.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.18

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