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Compound Detail

CHEMBL416540

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Nc1nc(N)c2ncn(C3COC(CO)C3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL416540
Phase Preclinical
Structure Type MOL
InChI Key FJBJRJQLSWVZRD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
-0.69
ALogP
8
HBA
3
HBD
125.1
PSA (Ų)
0.64
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 C10H14N6O2
MW 250.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.08

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
7707320 10.1021/jm00007a014 Adenosine receptor A1 1
7707320 10.1021/jm00007a014 Adenosine receptor A2a 1
7707320 10.1021/jm00007a014 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine