Compound Detail
CHEMBL148589
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Basic Information
| ChEMBL ID | CHEMBL148589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGGMDKJPUXTDAW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.31
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 9.74 | 9.74 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 0.183 | nM | 9.74 | Displacement of [3H]CPX from Adenosine A1 receptor of bovine brain cerebral cort... | 9484505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484505 | 10.1021/jm9705465 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine