Compound Detail
CHEMBL89472
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Basic Information
| ChEMBL ID | CHEMBL89472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLNHYWWTTFZRTB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.01
ALogP
6
HBA
1
HBD
69.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.75 | 7.75 | 18.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 18.0 | nM | 7.75 | Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor. | 9258367 |
| Adenosine receptor A3 | Ki | = | 18.0 | nM | 7.75 | In vitro binding affinity against human Adenosine A3 receptor | 10636237 |
| Adenosine receptor A3 | Ki | = | 18.0 | nM | 7.75 | Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK2... | 12166943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258367 | 10.1021/jm970091j | Adenosine receptor A3 | 1 |
| 10636237 | 10.1016/s0960-894x(99)00583-1 | Adenosine receptor A3 | 1 |
| 12166943 | 10.1021/jm010570p | Adenosine receptor A1 | 1 |
| 12166943 | 10.1021/jm010570p | Adenosine receptor A2a | 1 |
| 12166943 | 10.1021/jm010570p | Adenosine receptor A3 | 1 |
| 12166943 | 10.1021/jm010570p | Adenosine receptor A2b | 1 |
| 12166943 | 10.1021/jm010570p | Adenosine receptors; A1 & A3 | 1 |
| 12166943 | 10.1021/jm010570p | Adenosine receptors; A2a & A3 | 1 |
| 12166943 | 10.1021/jm010570p | Adenosine receptors; A2b & A3 | 1 |
Data from ChEMBL 36 via Core Engine