Compound Detail
CHEMBL2111930
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Basic Information
| ChEMBL ID | CHEMBL2111930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEULVFLPCJOBCE-BJUDXGSMSA-N |
| Parent Compound | CHEMBL136689 |
| Active Moiety | CHEMBL136689 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
2.96
ALogP
9
HBA
1
HBD
109.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Kd | 10.32 | 10.32 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Kd | = | 0.048 | nM | 10.32 | Binding affinity to adenosine receptor A2a in rat striatum | 24164628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087559 | 10.1021/jm0009843 | Rattus norvegicus | 105 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine