Compound Detail
CHEMBL526122
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Basic Information
| ChEMBL ID | CHEMBL526122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTVPXIKSAVTJOH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.63
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.0 | 7.0 | 99.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.43 | 6.43 | 373.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 99.0 | nM | 7.0 | Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed... | 19006671 |
| Adenosine receptor A1 | Ki | = | 373.0 | nM | 6.43 | Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in C... | 19006671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19006671 | 10.1016/j.bmc.2008.10.049 | Adenosine receptor A1 | 1 |
| 19006671 | 10.1016/j.bmc.2008.10.049 | Adenosine receptor A2a | 1 |
| 19006671 | 10.1016/j.bmc.2008.10.049 | Adenosine receptor A2b | 1 |
| 19006671 | 10.1016/j.bmc.2008.10.049 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine