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Compound Detail

CHEMBL17281

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Nc1nc2c(cnn2CCOCc2ccccc2)c2nc(-c3ccco3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL17281
Phase Preclinical
Structure Type MOL
InChI Key WFWZCXBEKOUWJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.53
ALogP
9
HBA
1
HBD
109.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N7O2
MW 375.39
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
8676354 10.1021/jm950746l Adenosine receptor A2a 2
8676354 10.1021/jm950746l Adenosine receptor A1 1

Data from ChEMBL 36 via Core Engine