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Compound Detail

CHEMBL4458332

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O=c1cnn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458332
Phase Preclinical
Structure Type MOL
InChI Key NAUWTFOEAFWMTI-XVFCMESISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.2
MW (Da)
-3.11
ALogP
10
HBA
6
HBD
221.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15N3O11P2
MW 403.18
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.56

Literature References

PubMed DOI Target Context # Activities
30895781 10.1021/acs.jmedchem.9b00164 5'-nucleotidase 2
34048882 10.1016/j.bmcl.2021.128137 P2Y purinoceptor 6 1

Data from ChEMBL 36 via Core Engine