Compound Detail
CHEMBL576739
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Basic Information
| ChEMBL ID | CHEMBL576739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNQVTSROQXJCDD-KQYNXXCUSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.2
MW (Da)
-1.86
ALogP
10
HBA
5
HBD
186.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.36
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | EC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | EC50 | = | 440.0 | nM | 6.36 | Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibit... | 22738238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19678707 | 10.1021/jm900728u | Unchecked | 1 |
| 22738238 | 10.1021/jm3004834 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine