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Compound Detail

CHEMBL611259

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CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL611259
Phase Preclinical
Structure Type MOL
InChI Key CYGQADSBOYTINV-NVONZOAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
-0.88
ALogP
10
HBA
4
HBD
165.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N6O5S
MW 424.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
1495019 10.1021/jm00093a022 Rattus norvegicus 2
1495019 10.1021/jm00093a022 Adenosine receptor A1 1
1495019 10.1021/jm00093a022 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine