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Compound Detail

CHEMBL2070506

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NCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2070506
Phase Preclinical
Structure Type MOL
InChI Key JLQSFLXHRJZVNM-QRIDJOKKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
-2.51
ALogP
10
HBA
5
HBD
174.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19N7O4
MW 337.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
22486652 10.1021/jm300095s Adenosine receptor A1 2
22486652 10.1021/jm300095s Adenosine receptor A2a 1
22486652 10.1021/jm300095s Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine