Compound Detail
CHEMBL388145
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Basic Information
| ChEMBL ID | CHEMBL388145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANLGHWMSNKUOET-NVMQTXNBSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.8
MW (Da)
0.49
ALogP
8
HBA
3
HBD
96.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 8.43 | 7.305 | 3.7 | 2 |
| Adenosine receptor A2a CHEMBL251 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.26 | 7.26 | 55.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 3.69 | nM | 8.43 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 17555308 |
| Adenosine receptor A2a | Ki | = | 45.0 | nM | 7.35 | Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK2... | 17555308 |
| Adenosine receptor A1 | Ki | = | 55.4 | nM | 7.26 | Displacement of [3H]CCPA from human adenosine A1 receptor in CHO cells | 17555308 |
| Adenosine receptor A3 | Ki | = | 658.0 | nM | 6.18 | Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CH... | 18811138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17555308 | 10.1021/jm070259t | Adenosine receptor A3 | 2 |
| 18811138 | 10.1021/jm8008647 | Adenosine receptor A3 | 2 |
| 17555308 | 10.1021/jm070259t | Adenosine receptor A1 | 1 |
| 17555308 | 10.1021/jm070259t | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine