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Compound Detail

CHEMBL244381

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OCC(CCn1cnc2c(Cl)ncnc21)COCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244381
Phase Preclinical
Structure Type MOL
InChI Key JGBOSEIBGRKAFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
2.70
ALogP
6
HBA
1
HBD
73.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19ClN4O2
MW 346.82
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.67

Literature References

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

Data from ChEMBL 36 via Core Engine