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Compound Detail

CHEMBL64278

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O=c1[nH]c(=O)n([C@H]2CO[C@@H](CO)O2)cc1I

Basic Information

ChEMBL ID CHEMBL64278
Phase Preclinical
Structure Type MOL
InChI Key GFRQBEMRUYIKAQ-PHDIDXHHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

340.1
MW (Da)
-1.00
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.67
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 C8H9IN2O5
MW 340.07
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.41

Activity Summary

EC50 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human gammaherpesvirus 4
CHEMBL613124
EC50 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1597854 10.1021/jm00089a007 ADMET 2
1597854 10.1021/jm00089a007 Vero 1
21035347 10.1016/j.bmc.2010.09.070 Human gammaherpesvirus 4 1
21035347 10.1016/j.bmc.2010.09.070 ADMET 1
21035347 10.1016/j.bmc.2010.09.070 Unchecked 1

Data from ChEMBL 36 via Core Engine