Compound Detail
CHEMBL5183118
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Basic Information
| ChEMBL ID | CHEMBL5183118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROVPKGPGDAYFPG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
1.87
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.27
Ki 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | EC50 | 9.27 | 9.27 | 0.5 | 1 |
| Adenosine receptor A1 CHEMBL226 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.44 | 6.44 | 363.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | EC50 | = | 0.537 | nM | 9.27 | Antagonist activity at human wild type A3R expressed in Flp-In-CHO cells assesse... | 35707146 |
| Adenosine receptor A1 | EC50 | = | 1.096 | nM | 8.96 | Antagonist activity at human wild type A1R expressed in CHO-K1 cells assessed as... | 35707146 |
| Adenosine receptor A3 | Ki | = | 363.08 | nM | 6.44 | Displacement of CA200645 from NLuc human A3 receptor expressed in HEK293 cells a... | 35707146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35707146 | 10.1021/acsmedchemlett.2c00052 | Adenosine receptor A1 | 2 |
| 35707146 | 10.1021/acsmedchemlett.2c00052 | Adenosine receptor A3 | 2 |
| 35707146 | 10.1021/acsmedchemlett.2c00052 | WI-38 | 1 |
| 35707146 | 10.1021/acsmedchemlett.2c00052 | PC-3 | 1 |
| 35707146 | 10.1021/acsmedchemlett.2c00052 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine