Compound Detail
CHEMBL4283891
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Basic Information
| ChEMBL ID | CHEMBL4283891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDXTUJVCYNFJCO-GFCCVEGCSA-N |
1
Targets
1
Activities
1
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
Ki 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.86 | 5.86 | 1390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 1390.0 | nM | 5.86 | 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 | 1 |
Data from ChEMBL 36 via Core Engine