Compound Detail
CHEMBL4753657
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Basic Information
| ChEMBL ID | CHEMBL4753657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFLSMIVBQPLWHK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.35
ALogP
6
HBA
1
HBD
66.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 7.69 | 7.69 | 20.4 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.92 | 5.92 | 1198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 3.6 | nM | 8.44 | Displacement of [3H]-ZM241385 from recombinant human A2A receptor expressed in C... | 33548636 |
| Adenosine receptor A2a | Ki | = | 20.4 | nM | 7.69 | Displacement of [3H]-ZM241385 from A2A receptor in rat brain corpora striata inc... | 33548636 |
| Adenosine receptor A1 | Ki | = | 1198.0 | nM | 5.92 | Displacement of [3H]-DPCPX from recombinant human A1 receptor expressed in CHO-K... | 33548636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33548636 | 10.1016/j.ejmech.2021.113214 | Adenosine receptor A2a | 2 |
| 33548636 | 10.1016/j.ejmech.2021.113214 | Unchecked | 2 |
| 33548636 | 10.1016/j.ejmech.2021.113214 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine