Compound Detail
CHEMBL5632085
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Basic Information
| ChEMBL ID | CHEMBL5632085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DURCBZYQELFCHD-OBPILZPTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
0.53
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 6.83 | 6.83 | 147.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 147.0 | nM | 6.83 | Displacement of [3H]-mesulergine from human A1AR expressed in Flp-In-T-REx-293 c... | 37562117 |
| Adenosine receptor A3 | Ki | = | 390.0 | nM | 6.41 | Displacement of [3H]-CGS21680 from human A3AR expressed in HEK cells assessed as... | 37562117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37562117 | 10.1016/j.ejmech.2023.115691 | 5-hydroxytryptamine receptor 2A | 1 |
| 37562117 | 10.1016/j.ejmech.2023.115691 | 5-hydroxytryptamine receptor 2B | 1 |
| 37562117 | 10.1016/j.ejmech.2023.115691 | 5-hydroxytryptamine receptor 2C | 1 |
| 37562117 | 10.1016/j.ejmech.2023.115691 | Adenosine receptor A1 | 1 |
| 37562117 | 10.1016/j.ejmech.2023.115691 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine