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Compound Detail

CHEMBL197326

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Cc1ccc2[nH]c(-c3cnc4ccccc4n3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL197326
Phase Preclinical
Structure Type MOL
InChI Key XXHWDLYNXSLQLV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
3.48
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.57
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 C16H12N4
MW 260.30
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -1.39

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