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Compound Detail

CHEMBL445416

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Nc1ncnc2c1ncn2[C@@H]1C[C@@H](N)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL445416
Phase Preclinical
Structure Type MOL
InChI Key WOKQQQHPTQJHRF-APOSLCTFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
-1.60
ALogP
8
HBA
4
HBD
136.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N6O2
MW 250.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.75

Literature References

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

Data from ChEMBL 36 via Core Engine