Compound Detail
CHEMBL193141
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Basic Information
| ChEMBL ID | CHEMBL193141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLHRNVLCKMTQAP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.7
MW (Da)
1.96
ALogP
5
HBA
1
HBD
71.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.38
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 7.38 | 7.38 | 41.9 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 6.77 | 6.77 | 169.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | IC50 | = | 12.0 | nM | 7.92 | Antagonist activity at human adenosine A3 receptor expressed in CHO cells assess... | 17927167 |
| Adenosine receptor A3 | Ki | = | 41.9 | nM | 7.38 | Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO ce... | 17927167 |
| GABA-A receptor; anion channel | Ki | = | 169.0 | nM | 6.77 | Displacement of [3H]flumazenil from bovine benzodiazepine receptor GABA-A channe... | 15828832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17927167 | 10.1021/jm0708376 | Adenosine receptor A3 | 2 |
| 17927167 | 10.1021/jm0708376 | Adenosine receptor A2b | 2 |
| 15828832 | 10.1021/jm0408722 | GABA-A receptor; anion channel | 1 |
| 17927167 | 10.1021/jm0708376 | Adenosine receptor A1 | 1 |
| 17927167 | 10.1021/jm0708376 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine