Compound Detail
CHEMBL301169
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Basic Information
| ChEMBL ID | CHEMBL301169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUIVWUJDCHSHER-KQYNXXCUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.2
MW (Da)
0.31
ALogP
9
HBA
3
HBD
114.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.13 | 7.13 | 74.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.33 | 5.33 | 4650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 26.0 | nM | 7.58 | Binding affinity for adenosine A3 receptor as inhibition of [125I]AB-MECA bindin... | 9873431 |
| Adenosine receptor A1 | Ki | = | 74.0 | nM | 7.13 | Binding affinity for adenosine A1 receptor as inhibition of 3[H]-R-PIA binding i... | 9873431 |
| Adenosine receptor A2a | Ki | = | 4650.0 | nM | 5.33 | Binding affinity for adenosine A2a receptor as inhibition of 3[H]-CGS 21680 bind... | 9873431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873431 | 10.1016/s0960-894x(98)00302-3 | Adenosine receptor A1 | 1 |
| 9873431 | 10.1016/s0960-894x(98)00302-3 | Adenosine receptor A2a | 1 |
| 9873431 | 10.1016/s0960-894x(98)00302-3 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine