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Compound Detail

CHEMBL244409

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CCCc1ccc(CCc2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244409
Phase Preclinical
Structure Type MOL
InChI Key KXOOHTPFBFKTRE-XUVXKRRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
2.37
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O5
MW 398.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
17622128 10.1021/jm070210n Human alphaherpesvirus 3 4
17622128 10.1021/jm070210n Human betaherpesvirus 5 2
17622128 10.1021/jm070210n HEL 2
17622128 10.1021/jm070210n Thymidine kinase 1

Data from ChEMBL 36 via Core Engine