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Compound Detail

CHEMBL4867290

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COc1ccc(C(OC[C@H]2O[C@@H](n3cc4c(nc3=O)Nc3c(OCCN)cccc3O4)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4867290
Phase Preclinical
Structure Type MOL
InChI Key BZEDJIWTHGVOLN-YDXJMRNDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

694.7
MW (Da)
4.08
ALogP
13
HBA
4
HBD
168.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H38N4O9
MW 694.74
Aromatic Rings 5
Heavy Atoms 51
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
33894564 10.1016/j.ejmech.2021.113467 Vero 1
33894564 10.1016/j.ejmech.2021.113467 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine