Compound Detail
CHEMBL4755914
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Basic Information
| ChEMBL ID | CHEMBL4755914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWTAISADZNYBMN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
5.30
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.83 | 8.83 | 1.5 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 7.59 | 7.59 | 25.4 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.43 | 7.43 | 36.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1.47 | nM | 8.83 | Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membrane... | 31780082 |
| Adenosine receptor A3 | Ki | = | 25.4 | nM | 7.59 | Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cel... | 31780082 |
| Adenosine receptor A1 | Ki | = | 36.7 | nM | 7.43 | Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell ... | 31780082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31780082 | 10.1016/j.ejmech.2019.111879 | Adenosine receptor A2a | 4 |
| 31780082 | 10.1016/j.ejmech.2019.111879 | Adenosine receptor A2b | 3 |
| 31780082 | 10.1016/j.ejmech.2019.111879 | Adenosine receptor A1 | 2 |
| 31780082 | 10.1016/j.ejmech.2019.111879 | Adenosine receptor A3 | 2 |
Data from ChEMBL 36 via Core Engine