Compound Detail
CHEMBL4285494
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Basic Information
| ChEMBL ID | CHEMBL4285494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDXTUJVCYNFJCO-LBPRGKRZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.90
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Ki 1 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | IC50 | 6.82 | 6.82 | 152.9 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.74 | 6.74 | 183.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | IC50 | = | 152.9 | nM | 6.82 | Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO ... | 30108902 |
| Adenosine receptor A3 | Ki | = | 183.2 | nM | 6.74 | Displacement of [3H]NECA from recombinant human adenosine A3 receptor expressed ... | 30108902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108902 | 10.1039/C7MD00375G | Adenosine receptor A3 | 2 |
Data from ChEMBL 36 via Core Engine