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Compound Detail

CHEMBL152418

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Nc1nc(Cl)c2ncn(/C=C3\CC3(CO)CO)c2n1

Basic Information

ChEMBL ID CHEMBL152418
Phase Preclinical
Structure Type MOL
InChI Key RVWFOZDLCFEUFR-QHHAFSJGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

281.7
MW (Da)
0.28
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.70
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 C11H12ClN5O2
MW 281.70
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.12

Activity Summary

EC50 1 meas. best 4.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human gammaherpesvirus 4
CHEMBL613124
EC50 4.79 4.79 16400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human gammaherpesvirus 4 EC50 = 16400.0 nM 4.79 In vitro effective concentration required to inhibit Epstein-Barr virus (EBV) re... 14736238

Literature References

PubMed DOI Target Context # Activities
14736238 10.1021/jm030316s Human betaherpesvirus 5 3
14736238 10.1021/jm030316s Human gammaherpesvirus 4 3
14736238 10.1021/jm030316s MEF 2
14736238 10.1021/jm030316s HFF 1
14736238 10.1021/jm030316s Human alphaherpesvirus 3 1
14736238 10.1021/jm030316s Hepatitis B virus 1
14736238 10.1021/jm030316s HepG2 1

Data from ChEMBL 36 via Core Engine