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Compound Detail

CHEMBL439378

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CSC1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL439378
Phase Preclinical
Structure Type MOL
InChI Key AHJZJKHBHBHIPP-DKBMREHESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

598.4
MW (Da)
-3.29
ALogP
15
HBA
9
HBD
274.5
PSA (Ų)
0.11
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 C16H28N2O16P2S
MW 598.41
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 1.43

Literature References

PubMed DOI Target Context # Activities
17407275 10.1021/jm061222w P2Y purinoceptor 14 1

Data from ChEMBL 36 via Core Engine