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Compound Detail

CHEMBL1094442

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O=C(Nc1ncnc2nn(Cc3ccccc3)cc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094442
Phase Preclinical
Structure Type MOL
InChI Key ZUVPPWNUOQRGRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.13
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N5O
MW 329.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
20408530 10.1021/jm901785w Adenosine receptor A3 1
20408530 10.1021/jm901785w Adenosine receptor A1 1
20408530 10.1021/jm901785w Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine