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Compound Detail

CHEMBL606229

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CCCCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL606229
Phase Preclinical
Structure Type MOL
InChI Key MNZDTQPQUDHCOK-HETNKJQDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
0.92
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29N5O4
MW 379.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.71

Literature References

PubMed DOI Target Context # Activities
1732541 10.1021/jm00080a007 Rattus norvegicus 2
1732541 10.1021/jm00080a007 Adenosine receptor A1 1
1732541 10.1021/jm00080a007 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine