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Compound Detail

CHEMBL609358

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OC[C@H]1OC(n2c(Cl)nc3ccccc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609358
Phase Preclinical
Structure Type MOL
InChI Key INKPVXRUWGSVMM-QHPFDFDXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

284.7
MW (Da)
0.30
ALogP
6
HBA
3
HBD
87.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13ClN2O4
MW 284.70
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.52

Literature References

PubMed DOI Target Context # Activities
9057868 10.1021/jm960462g Human betaherpesvirus 5 2
9057868 10.1021/jm960462g HFF 1
9057868 10.1021/jm960462g KB 1

Data from ChEMBL 36 via Core Engine