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Compound Detail

CHEMBL70938

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O=c1[nH]c(=O)n(C2COC(CO)S2)cc1I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70938
Phase Preclinical
Structure Type MOL
InChI Key YMPAONUNZOESDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.1
MW (Da)
-0.28
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.71
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 C8H9IN2O4S
MW 356.14
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
10377226 10.1021/jm9806749 Human gammaherpesvirus 4 1
10377226 10.1021/jm9806749 ADMET 1

Data from ChEMBL 36 via Core Engine