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Compound Detail

CHEMBL3290652

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Nc1ncnc2c1nc(F)n2[C@@H]1CC[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3290652
Phase Preclinical
Structure Type MOL
InChI Key QLKPIIHYQIKGQM-XAHCXIQSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.2
MW (Da)
-0.40
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.60
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 C10H12FN5O2
MW 253.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
24813734 10.1016/j.bmcl.2014.04.034 Adenosylhomocysteinase 2

Data from ChEMBL 36 via Core Engine