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Compound Detail

CHEMBL608161

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Nc1ncnc2c1nc(N)n2C1O[C@H](COP(=O)(O)O[C@H]2C(n3c(N)nc4c(N)ncnc43)O[C@H](COP(=O)(O)O)[C@H]2O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608161
Phase Preclinical
Structure Type MOL
InChI Key KUDFESJEASMDIF-IXVYOMHZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

706.5
MW (Da)
-3.52
ALogP
22
HBA
10
HBD
392.9
PSA (Ų)
0.07
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N12O13P2
MW 706.46
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness 0.79

Literature References

PubMed DOI Target Context # Activities
14584943 10.1021/jm030035k 2-5A-dependent ribonuclease 2

Data from ChEMBL 36 via Core Engine