Compound Detail
CHEMBL188898
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Basic Information
| ChEMBL ID | CHEMBL188898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFQNJDNDSBFEGP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
2.43
ALogP
10
HBA
1
HBD
114.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.13 | 7.13 | 74.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 74.0 | nM | 7.13 | Inhibition of [3H]ZM-241,385 binding to rat brain adenosine A2a receptor | 15294001 |
| Adenosine receptor A1 | Ki | = | 650.0 | nM | 6.19 | Inhibition of [3H]DPCPX binding to rat cerebral cortex adenosine A1 receptor | 15294001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15294001 | 10.1021/jm0498405 | Rattus norvegicus | 2 |
| 15294001 | 10.1021/jm0498405 | Adenosine receptor A2a | 1 |
| 15294001 | 10.1021/jm0498405 | Adenosine receptor A1 | 1 |
| 15294001 | 10.1021/jm0498405 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine