Compound Detail
CHEMBL195410
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Basic Information
| ChEMBL ID | CHEMBL195410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCUMBBXSKKIJQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
2.73
ALogP
7
HBA
1
HBD
92.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 7.7 | nM | 8.11 | Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 a... | 15808481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17804243 | 10.1016/j.bmc.2007.07.034 | Mycobacterium tuberculosis | 2 |
| 15808481 | 10.1016/j.bmcl.2005.02.031 | Adenosine receptor A2a | 1 |
| 15808481 | 10.1016/j.bmcl.2005.02.031 | Adenosine receptors; A1 & A2a | 1 |
| 17804243 | 10.1016/j.bmc.2007.07.034 | Vero | 1 |
| 17804243 | 10.1016/j.bmc.2007.07.034 | Unchecked | 1 |
| 17804243 | 10.1016/j.bmc.2007.07.034 | Staphylococcus aureus | 1 |
| 17804243 | 10.1016/j.bmc.2007.07.034 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine