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Compound Detail

CHEMBL1935770

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CN1CCN(c2nc3cnn(C)c3c3nc(-c4ccco4)nn23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1935770
Phase Preclinical
Structure Type MOL
InChI Key DGFOJUXGIXXUMW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
1.02
ALogP
9
HBA
0
HBD
80.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N8O
MW 338.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.08

Literature References

PubMed DOI Target Context # Activities
22204739 10.1016/j.bmc.2011.11.037 Adenosine receptor A3 3
22204739 10.1016/j.bmc.2011.11.037 Adenosine receptor A1 2
22204739 10.1016/j.bmc.2011.11.037 Adenosine receptor A2a 2
22204739 10.1016/j.bmc.2011.11.037 Adenosine receptor A2b 1

Data from ChEMBL 36 via Core Engine