Compound Detail
CHEMBL100004
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Basic Information
| ChEMBL ID | CHEMBL100004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUHAMGYOMBKPLA-HTXNQAPBSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.51
ALogP
6
HBA
1
HBD
68.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 7.16 | 7.16 | 68.8 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.25 | 5.25 | 5560.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.19 | 5.19 | 6500.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 68.77 | nM | 7.16 | Tested for inhibition of [3H]PAF binding to rabbit Platelet activating factor re... | 2175357 |
| Adenosine receptor A3 | Ki | = | 5560.0 | nM | 5.25 | Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in... | 8709132 |
| Adenosine receptor A1 | Ki | = | 6500.0 | nM | 5.19 | Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membra... | 8709132 |
| Adenosine receptor A2a | Ki | = | 7100.0 | nM | 5.15 | Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striata... | 8709132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2175357 | 10.1021/jm00174a017 | Platelet-activating factor receptor | 3 |
| 2175357 | 10.1021/jm00174a017 | Rattus norvegicus | 2 |
| 8709132 | 10.1021/jm9600205 | Adenosine receptor A1 | 1 |
| 8709132 | 10.1021/jm9600205 | Adenosine receptor A2a | 1 |
| 8709132 | 10.1021/jm9600205 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine