Compound Detail
CHEMBL11146
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Basic Information
| ChEMBL ID | CHEMBL11146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBISNWCHHLHHHN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
0.33
ALogP
6
HBA
2
HBD
110.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Ki 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 4.96 | 4.96 | 11100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 2500.0 | nM | 5.6 | Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cy... | 2991519 |
| Adenosine receptor A2b | Ki | = | 11100.0 | nM | 4.96 | Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, usin... | 12014951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A2b | 1 |
| 2991519 | 10.1021/jm00146a016 | Adenosine receptor A1 | 1 |
| 2991519 | 10.1021/jm00146a016 | Bos taurus | 1 |
| 2984420 | 10.1021/jm00382a018 | Adenosine receptor A1 | 1 |
| 2984420 | 10.1021/jm00382a018 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine