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Compound Detail

CHEMBL363897

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Nc1ncnc2c1ncn2[C@@H]1C(F)=C(CF)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363897
Phase Preclinical
Structure Type MOL
InChI Key XNMDLRLZAAFDQA-HLTSFMKQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

283.2
MW (Da)
-0.12
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.71
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 C11H11F2N5O2
MW 283.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
15482939 10.1016/j.bmcl.2004.08.047 Adenosylhomocysteinase 1
15482939 10.1016/j.bmcl.2004.08.047 Col2 1
15482939 10.1016/j.bmcl.2004.08.047 A549 1

Data from ChEMBL 36 via Core Engine