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Compound Detail

CHEMBL4451900

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4451900
Phase Preclinical
Structure Type MOL
InChI Key WPAZYCXBZKZHBO-HUKYDQBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.2
MW (Da)
-1.67
ALogP
11
HBA
6
HBD
229.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N6O8P2
MW 424.25
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
30895781 10.1021/acs.jmedchem.9b00164 5'-nucleotidase 2

Data from ChEMBL 36 via Core Engine