Compound Detail
CHEMBL344678
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Basic Information
| ChEMBL ID | CHEMBL344678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXXBRYVSNYZVLB-CMDGGOBGSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
1.22
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 6.51 | 6.115 | 310.0 | 2 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.89 | 5.785 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 310.0 | nM | 6.51 | Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat b... | 9435909 |
| Adenosine receptor A1 | Ki | = | 1300.0 | nM | 5.89 | Ability to inhibit binding of [3H]CHA to adenosine A1 receptor in rat brain cort... | 9435909 |
| Adenosine receptor A2a | Ki | = | 1900.0 | nM | 5.72 | Ability to inhibit binding of [3H]NECA to Adenosine A2A receptor in rat brain st... | 9435909 |
| Adenosine receptor A1 | Ki | = | 2100.0 | nM | 5.68 | Ability to inhibit binding of [3H]R-PIA to Adenosine A1 receptor in rat brain co... | 9435909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435909 | 10.1021/jm970515+ | Adenosine receptor A1 | 2 |
| 9435909 | 10.1021/jm970515+ | Adenosine receptor A2a | 2 |
| 9435909 | 10.1021/jm970515+ | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine