Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL351186

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1c2cc(O)c(O)cc2C2c3ccc(O)c(O)c3OCC12O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351186
Phase Preclinical
Structure Type MOL
InChI Key CJQIKSGVPXOGJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
0.96
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O7
MW 316.26
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.76

Activity Summary

Ki 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine receptor A1
CHEMBL318
 Ki 5.51 5.51 3100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine receptor A1 Ki = 3100.0 nM 5.51 Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain... 8576921

Literature References

PubMed DOI Target Context # Activities
8576921 10.1021/jm950661k Adenosine receptor A1 1
8576921 10.1021/jm950661k Adenosine receptor A2a 1
8576921 10.1021/jm950661k Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine