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Compound Detail

CHEMBL198561

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c1c[nH]c2nc(-c3cnc4ccccc4n3)nc-2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198561
Phase Preclinical
Structure Type MOL
InChI Key YDZKEBIUBYPARC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.52
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.56
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 C14H9N5
MW 247.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
16366607 10.1021/jm050792d Adenosine receptor A1 1
16366607 10.1021/jm050792d Adenosine receptor A2a 1
16366607 10.1021/jm050792d Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine