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Compound Detail

CHEMBL4851769

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Nc1ncnc2c1nc(Br)n2C[C@@H](O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4851769
Phase Preclinical
Structure Type MOL
InChI Key XXTHNUCUAMMCPB-SCSAIBSYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.1
MW (Da)
-0.48
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H10BrN5O2
MW 288.11
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33189437 10.1016/j.ejmech.2020.112978 Toll-like receptor 7 1

Data from ChEMBL 36 via Core Engine