Compound Detail
CHEMBL321749
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Basic Information
| ChEMBL ID | CHEMBL321749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STTSYIXNIOADQX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
2.11
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 6900.0 | nM | 5.16 | Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA ... | 1895305 |
| Adenosine A2 receptor | Ki | = | 68000.0 | nM | 4.17 | Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA... | 1895305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1895305 | 10.1021/jm00113a029 | Adenosine A2 receptor | 2 |
| 15689155 | 10.1021/jm0408767 | Mitogen-activated protein kinase 1 | 1 |
| 1895305 | 10.1021/jm00113a029 | Adenosine receptor A1 | 1 |
| 15689155 | 10.1021/jm0408767 | Mitogen-activated protein kinase 3 | 1 |
| 15689155 | 10.1021/jm0408767 | Tyrosine-protein kinase Lck | 1 |
| 15689155 | 10.1021/jm0408767 | Mitogen-activated protein kinase 10 | 1 |
| 15689155 | 10.1021/jm0408767 | Mitogen-activated protein kinase 9 | 1 |
| 15689155 | 10.1021/jm0408767 | Mitogen-activated protein kinase 8 | 1 |
| 15689155 | 10.1021/jm0408767 | Glycogen synthase kinase-3 beta | 1 |
| 15689155 | 10.1021/jm0408767 | Ca2+/calmodulin-dependent protein kinase II (CaM kinase II) | 1 |
| 15689155 | 10.1021/jm0408767 | Mitogen-activated protein kinase 14 | 1 |
| 15689155 | 10.1021/jm0408767 | Rho-associated protein kinase 1 | 1 |
| 15689155 | 10.1021/jm0408767 | Protein kinase C alpha type | 1 |
| 15689155 | 10.1021/jm0408767 | RAC-alpha serine/threonine-protein kinase | 1 |
| 15689155 | 10.1021/jm0408767 | cAMP-dependent protein kinase (PKA) | 1 |
| 15689155 | 10.1021/jm0408767 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 15689155 | 10.1021/jm0408767 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 1895305 | 10.1021/jm00113a029 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine