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Compound Detail

CHEMBL384008

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Nc1nc(O)c2c(ncn2/C=C2\[C@H](F)[C@H]2CO)n1

Basic Information

ChEMBL ID CHEMBL384008
Phase Preclinical
Structure Type MOL
InChI Key QPHJZEBBTPCAJK-CQHDBRBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

251.2
MW (Da)
-0.08
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.69
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 C10H10FN5O2
MW 251.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.07

Activity Summary

EC50 1 meas. best 4.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human gammaherpesvirus 4
CHEMBL613124
EC50 4.04 4.04 91600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human gammaherpesvirus 4 EC50 = 91600.0 nM 4.04 Inhibition of EBV replication in Daudi cells by viral capsid antigen-ELISA 17004726

Literature References

PubMed DOI Target Context # Activities
17004726 10.1021/jm0607404 Human betaherpesvirus 5 2
17004726 10.1021/jm0607404 HFF 2
17004726 10.1021/jm0607404 Human alphaherpesvirus 1 2
17004726 10.1021/jm0607404 Human gammaherpesvirus 4 2
17004726 10.1021/jm0607404 KB 1
17004726 10.1021/jm0607404 Human alphaherpesvirus 2 1
17004726 10.1021/jm0607404 Vero 1
17004726 10.1021/jm0607404 Daudi 1
17004726 10.1021/jm0607404 Human alphaherpesvirus 3 1
17004726 10.1021/jm0607404 Human immunodeficiency virus 1 1
17004726 10.1021/jm0607404 MT2 1
17004726 10.1021/jm0607404 Hepatitis B virus 1
17004726 10.1021/jm0607404 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine