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Compound Detail

CHEMBL324582

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CCOCn1cc(C(=N)S)c2c(NC)ncnc21

Basic Information

ChEMBL ID CHEMBL324582
Phase Preclinical
Structure Type MOL
InChI Key BMOYFEPDXLUOBB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
1.72
ALogP
6
HBA
3
HBD
75.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5OS
MW 265.34
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human betaherpesvirus 5
CHEMBL371
IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human betaherpesvirus 5 IC50 = 20000.0 nM 4.7 Antiviral activity against human cytomegalovirus by plaque reduction assay 8784444

Literature References

PubMed DOI Target Context # Activities
8784444 10.1021/jm950835y Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine