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Compound Detail

CHEMBL3143045

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C=CCCCc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3143045
Phase Preclinical
Structure Type MOL
InChI Key REUWWECBFMTZLM-BFHYXJOUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
1.14
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O5
MW 320.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.18

Literature References

PubMed DOI Target Context # Activities
11212118 10.1016/s0960-894x(00)00672-7 Human alphaherpesvirus 3 4
11212118 10.1016/s0960-894x(00)00672-7 HEL 2
11212118 10.1016/s0960-894x(00)00672-7 No relevant target 1

Data from ChEMBL 36 via Core Engine