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Compound Detail

CHEMBL4872562

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COCN1c2ccccc2Oc2cn([C@H]3C[C@H](O)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)c(=O)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872562
Phase Preclinical
Structure Type MOL
InChI Key MNKTWFLBYDEAFY-FSRLPRDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

663.7
MW (Da)
5.77
ALogP
11
HBA
1
HBD
113.7
PSA (Ų)
0.17
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H37N3O8
MW 663.73
Aromatic Rings 5
Heavy Atoms 49
NP-Likeness 0.01

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