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Compound Detail

CHEMBL330817

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N=c1ncn(C2OC(CO)[C@@H](O)[C@@H]2O)c2nccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330817
Phase Preclinical
Structure Type MOL
InChI Key KGTKBMUJIXHQHA-DFEIVUHYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
-1.77
ALogP
9
HBA
5
HBD
144.7
PSA (Ų)
0.44
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 C12H14N4O5
MW 294.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.42

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