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Compound Detail

CHEMBL197962

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c1ccc2nc(-c3nc4c[nH]cnc-4n3)cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL197962
Phase Preclinical
Structure Type MOL
InChI Key DRJOIBKINSQDPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
1.91
ALogP
5
HBA
1
HBD
80.2
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 C13H8N6
MW 248.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.04

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