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Compound Detail

CHEMBL362374

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CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(F)c5)n4)cc3)[nH]c2n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL362374
Phase Preclinical
Structure Type MOL
InChI Key YUSPEUJNXAIUCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

504.5
MW (Da)
4.14
ALogP
9
HBA
1
HBD
120.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25FN6O4
MW 504.52
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
15664822 10.1016/j.bmcl.2004.11.044 Adenosine receptor A2b 1
15664822 10.1016/j.bmcl.2004.11.044 Adenosine receptor A1 1
15664822 10.1016/j.bmcl.2004.11.044 Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine