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Compound Detail

CHEMBL5203879

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CCCOc1ccc(-c2cc(OCCN3CCc4cc(OC)ccc4C3)c3c(OC)cc(OC)cc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5203879
Phase Preclinical
Structure Type MOL
InChI Key ATEMXFUNJIVDFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

528.6
MW (Da)
6.15
ALogP
7
HBA
0
HBD
62.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36N2O5
MW 528.65
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
35571875 10.1021/acsmedchemlett.2c00123 SARS-CoV-2 1
35571875 10.1021/acsmedchemlett.2c00123 Vero C1008 1

Data from ChEMBL 36 via Core Engine