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Compound Detail

CHEMBL474623

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Nc1ncnc2ncn(CC(O)CO)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474623
Phase Preclinical
Structure Type MOL
InChI Key XYJGQIGHFQBRNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

209.2
MW (Da)
-1.24
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11N5O2
MW 209.21
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A1 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A2a 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A2b 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine