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Compound Detail

CHEMBL1892348

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CN1N=C(N)c2cn(C3OC(CO)C(O)C3O)c3ncnc1c23

Basic Information

ChEMBL ID CHEMBL1892348
Phase Preclinical
Structure Type MOL
InChI Key HOGVTUZUJGHKPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
-1.89
ALogP
10
HBA
4
HBD
142.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H16N6O4
MW 320.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.51

Activity Summary

IC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.86 4.86 13703.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 13703.1 nM 4.86 PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... -

Literature References

PubMed DOI Target Context # Activities
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine