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Compound Detail

CHEMBL245013

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O[C@@H]1[C@H](O)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245013
Phase Preclinical
Structure Type MOL
InChI Key YWROAXQJSUGMRA-LSCFUAHRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.8
MW (Da)
1.32
ALogP
8
HBA
2
HBD
102.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN4O4
MW 376.80
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.36

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17336519 10.1016/j.bmcl.2007.02.026 SARS-CoV 2
17336519 10.1016/j.bmcl.2007.02.026 Vero 1
17336519 10.1016/j.bmcl.2007.02.026 Unchecked 1

Data from ChEMBL 36 via Core Engine