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Compound Detail

CHEMBL447623

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Nc1ncnc2ncn(CCCO)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL447623
Phase Preclinical
Structure Type MOL
InChI Key NNEBGUABQWKLQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
-0.21
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.70
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 C8H11N5O
MW 193.21
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.44

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