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Compound Detail

CHEMBL360558

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Nc1nc(C#CCO)cn2nc(-c3ccco3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360558
Phase Preclinical
Structure Type MOL
InChI Key RSUZKLWKRQKZQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

255.2
MW (Da)
0.31
ALogP
7
HBA
2
HBD
102.5
PSA (Ų)
0.61
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 C12H9N5O2
MW 255.24
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
15664803 10.1016/j.bmcl.2004.11.062 Adenosine receptor A2a 1
15664803 10.1016/j.bmcl.2004.11.062 Adenosine receptor A1 1

Data from ChEMBL 36 via Core Engine