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Compound Detail

CHEMBL37219

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Cn1c(=O)c2c(cc(-c3cccc4ccccc34)n2O)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL37219
Phase Preclinical
Structure Type MOL
InChI Key WHNGMMXENLSAGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
2.10
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O3
MW 321.34
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
8182711 10.1021/jm00036a019 Adenosine receptor A1 2
8182711 10.1021/jm00036a019 Adenosine A2 receptor 2

Data from ChEMBL 36 via Core Engine