Compound Detail
CHEMBL3753291
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Basic Information
| ChEMBL ID | CHEMBL3753291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGFFHVCJJXLYQJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.05
ALogP
6
HBA
1
HBD
69.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 250.0 | nM | 6.6 | Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membra... | 26638043 |
| Adenosine receptor A1 | Ki | = | 400.0 | nM | 6.4 | Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane af... | 26638043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26638043 | 10.1016/j.ejmech.2015.11.015 | Adenosine receptor A1 | 1 |
| 26638043 | 10.1016/j.ejmech.2015.11.015 | Adenosine receptor A2a | 1 |
| 26638043 | 10.1016/j.ejmech.2015.11.015 | Adenosine receptor A3 | 1 |
| 26638043 | 10.1016/j.ejmech.2015.11.015 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine