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Compound Detail

CHEMBL228392

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C[C@]1(CO)C[C@@]1(F)n1ccc(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL228392
Phase Preclinical
Structure Type MOL
InChI Key PYVCOLQXDJKOFO-RKDXNWHRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
-0.44
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.70
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 C9H11FN2O3
MW 214.20
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.46

Activity Summary

EC50 1 meas. best 4.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human betaherpesvirus 5
CHEMBL371
EC50 4.37 4.37 43000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human betaherpesvirus 5 EC50 = 43000.0 nM 4.37 Antiviral activity against HCMV AD169 17188402

Literature References

PubMed DOI Target Context # Activities
17188402 10.1016/j.ejmech.2006.11.002 Human immunodeficiency virus 1 1
17188402 10.1016/j.ejmech.2006.11.002 Human alphaherpesvirus 1 1
17188402 10.1016/j.ejmech.2006.11.002 Human alphaherpesvirus 2 1
17188402 10.1016/j.ejmech.2006.11.002 Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine