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Compound Detail

CHEMBL489950

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Nc1nc2c(ncn2/C=C2\C[C@@H]2[C@@H](O)CO)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL489950
Phase Preclinical
Structure Type MOL
InChI Key MEZVEUMQMDWVHL-MVZICMOUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
-1.08
ALogP
7
HBA
4
HBD
130.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N5O3
MW 263.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.66

Activity Summary

EC50 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human gammaherpesvirus 4
CHEMBL613124
EC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human gammaherpesvirus 4 EC50 = 18000.0 nM 4.75 Antiviral activity against Epstein-Barr virus infected in human Akata cells by D... 19397271

Literature References

PubMed DOI Target Context # Activities
19397271 10.1021/jm900126v Human betaherpesvirus 5 2
19397271 10.1021/jm900126v HFF 2
19397271 10.1021/jm900126v Human gammaherpesvirus 4 1
19397271 10.1021/jm900126v ADMET 1
19397271 10.1021/jm900126v Hepatitis B virus 1
19397271 10.1021/jm900126v Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine