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Compound Detail

CHEMBL406942

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[N-]=[N+]=N[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406942
Phase Preclinical
Structure Type MOL
InChI Key UPIWCZFYODCBAS-LAHCRNKXSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
-0.25
ALogP
8
HBA
3
HBD
158.8
PSA (Ų)
0.39
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 C10H12N8O2
MW 276.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.70

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18374570 10.1016/j.bmcl.2008.03.029 Unchecked 2
18374570 10.1016/j.bmcl.2008.03.029 Adenosylhomocysteinase 1

Data from ChEMBL 36 via Core Engine