Compound Detail
CHEMBL5203865
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5203865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMECWJGCTQNYAG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.10
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.94
Ki 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | EC50 | 8.94 | 8.94 | 1.1 | 1 |
| Adenosine receptor A1 CHEMBL226 | EC50 | 8.62 | 8.62 | 2.4 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.77 | 5.77 | 1698.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | EC50 | = | 1.148 | nM | 8.94 | Antagonist activity at human wild type A3R expressed in Flp-In-CHO cells assesse... | 35707146 |
| Adenosine receptor A1 | EC50 | = | 2.399 | nM | 8.62 | Antagonist activity at human wild type A1R expressed in CHO-K1 cells assessed as... | 35707146 |
| Adenosine receptor A3 | Ki | = | 1698.24 | nM | 5.77 | 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