Compound Detail
CHEMBL3747370
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Basic Information
| ChEMBL ID | CHEMBL3747370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDFMVMDCZRHFPF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
2.87
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| Transmembrane domain-containing protein TMIGD3 CHEMBL3712907 | Ki | 6.98 | 6.95 | 104.7 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.53 | 5.53 | 2951.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 39.0 | nM | 7.41 | Displacement of [3H]DPCPX from rat cortical membrane adenosine A1 receptor by ga... | 26592528 |
| Transmembrane domain-containing protein TMIGD3 | Ki | = | 104.71 | nM | 6.98 | Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-S... | 26592528 |
| Transmembrane domain-containing protein TMIGD3 | Ki | = | 120.0 | nM | 6.92 | Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-S... | 26592528 |
| Adenosine receptor A1 | Ki | = | 2951.21 | nM | 5.53 | Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells... | 26592528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26592528 | 10.1021/acs.jmedchem.5b01120 | Transmembrane domain-containing protein TMIGD3 | 3 |
| 26592528 | 10.1021/acs.jmedchem.5b01120 | Adenosine receptor A1 | 2 |
| 26592528 | 10.1021/acs.jmedchem.5b01120 | Adenosine receptors; A1 & A3 | 1 |
| 26592528 | 10.1021/acs.jmedchem.5b01120 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine