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Compound Detail

CHEMBL4459165

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[N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459165
Phase Preclinical
Structure Type MOL
InChI Key NWGUHGHHBKTXFX-ZOQUXTDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.2
MW (Da)
-1.19
ALogP
9
HBA
5
HBD
237.1
PSA (Ų)
0.15
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H15N5O10P2
MW 427.20
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.97

Literature References

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

Data from ChEMBL 36 via Core Engine