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Compound Detail

CHEMBL3084720

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Nc1ncnc2c1c(=O)ccn2[C@@H]1OC(CO)(CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3084720
Phase Preclinical
Structure Type MOL
InChI Key KBAQAPDSVKDMKH-VDDIYKPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
-2.65
ALogP
10
HBA
5
HBD
163.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4O6
MW 324.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
11020285 10.1021/jm000073t NON-PROTEIN TARGET 2
11020285 10.1021/jm000073t B16 1

Data from ChEMBL 36 via Core Engine