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Compound Detail

CHEMBL290107

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Nc1ccn(COC(CO)CO)c(=S)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290107
Phase Preclinical
Structure Type MOL
InChI Key WQEXFNDKZNBDGD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
-0.48
ALogP
7
HBA
3
HBD
93.5
PSA (Ų)
0.59
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 C8H13N3O3S
MW 231.28
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
2826784 10.1021/jm00396a021 Cytomegalovirus 1
2826784 10.1021/jm00396a021 Human gammaherpesvirus 4 1

Data from ChEMBL 36 via Core Engine