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Compound Detail

CHEMBL1630858

6,6'-AZOPURINE
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c1nc(/N=N/c2ncnc3nc[nH]c23)c2[nH]cnc2n1

Basic Information

ChEMBL ID CHEMBL1630858
Name 6,6'-AZOPURINE
Phase Preclinical
Structure Type MOL
InChI Key POEBWGYSGSGSNY-FMQUCBEESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
1.43
ALogP
8
HBA
2
HBD
133.6
PSA (Ų)
0.53
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 C10H6N10
MW 266.23
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.37

Activity Summary

Ki 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aldehyde oxidase 1
CHEMBL1641356
Ki 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aldehyde oxidase 1 Ki = 3300.0 nM 5.48 Inhibition of rabbit aldehyde oxidase 20853847

Literature References

PubMed DOI Target Context # Activities
20853847 10.1021/jm100888d Aldehyde oxidase 1 1

Data from ChEMBL 36 via Core Engine