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Compound Detail

CHEMBL324801

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CNc1ncnc2c1c(C(N)=O)cn2C1SC(CO)C(O)C1O

Basic Information

ChEMBL ID CHEMBL324801
Phase Preclinical
Structure Type MOL
InChI Key UXPIFUHEXLDIGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
-1.10
ALogP
9
HBA
5
HBD
146.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N5O4S
MW 339.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human betaherpesvirus 5
CHEMBL371
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human betaherpesvirus 5 IC50 = 5000.0 nM 5.3 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
8784444 10.1021/jm950835y HFF 1

Data from ChEMBL 36 via Core Engine