Compound Detail
CHEMBL10873
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Basic Information
| ChEMBL ID | CHEMBL10873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJCQAXMJLOGLCR-UHFFFAOYSA-N |
6
Targets
9
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
1.28
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.43
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.0 | 6.76 | 100.0 | 2 |
| Adenosine receptor A2b CHEMBL2592 | Ki | 6.76 | 6.76 | 174.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.72 | 5.72 | 1920.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 4.0 | nM | 8.4 | Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cy... | 2991519 |
| Adenosine receptor A2b | Ki | = | 37.0 | nM | 7.43 | Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, usin... | 12014951 |
| Adenosine receptor A1 | Ki | = | 100.0 | nM | 7.0 | Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [... | 8230124 |
| Adenosine receptor A2b | Ki | = | 174.0 | nM | 6.76 | Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HE... | 12014951 |
| Adenosine receptor A1 | Ki | = | 302.0 | nM | 6.52 | Binding affinity of specific [3H]R-PIA binding to rat Adenosine A1 receptor in H... | 12014951 |
| Adenosine receptor A2a | Ki | = | 1920.0 | nM | 5.72 | Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement. | 12014951 |
| Adenosine A2 receptor | Ki | = | 2100.0 | nM | 5.68 | Binding affinity against Adenosine A2 receptor in rat striatal membranes using [... | 8230124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2991519 | 10.1021/jm00146a016 | Adenosine receptor A1 | 3 |
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A2b | 2 |
| 12014951 | 10.1021/jm0104318 | Unchecked | 2 |
| 8230124 | 10.1021/jm00074a015 | Adenosine receptor A1 | 1 |
| 8230124 | 10.1021/jm00074a015 | Adenosine A2 receptor | 1 |
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A1 | 1 |
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A2a | 1 |
| 2991519 | 10.1021/jm00146a016 | Bos taurus | 1 |
Data from ChEMBL 36 via Core Engine