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Compound Detail

CHEMBL5179141

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CCCOc1ccc(-c2cc(OCCN3Cc4ccccc4C3)c3c(OC)cc(OC)cc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5179141
Phase Preclinical
Structure Type MOL
InChI Key IILPQYTVCPDNIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
6.10
ALogP
6
HBA
0
HBD
53.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32N2O4
MW 484.60
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.74

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