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Compound Detail

CHEMBL120075

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C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2C[C@H](O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120075
Phase Preclinical
Structure Type MOL
InChI Key JXLMYGYJHCFSIH-OCCSQVGLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
1.22
ALogP
7
HBA
3
HBD
96.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O2
MW 327.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
3005574 10.1021/jm00153a008 Mus musculus 2
3005574 10.1021/jm00153a008 Rattus norvegicus 2
3005574 10.1021/jm00153a008 Adenosine receptor A1 1
3005574 10.1021/jm00153a008 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine