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Compound Detail

CHEMBL359678

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Nc1nc(C#Cc2ccc(F)cc2F)cn2nc(-c3ccco3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359678
Phase Preclinical
Structure Type MOL
InChI Key LEHOEWDFKQRFPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
2.64
ALogP
6
HBA
1
HBD
82.2
PSA (Ų)
0.54
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 C17H9F2N5O
MW 337.29
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
15664803 10.1016/j.bmcl.2004.11.062 Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine