Compound Detail
CHEMBL313806
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Basic Information
| ChEMBL ID | CHEMBL313806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTPTUJAELRXPIR-SDBHATRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
-0.75
ALogP
10
HBA
4
HBD
128.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 7.3 | nM | 8.14 | Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80737-X | Adenosine receptor A1 | 1 |
| - | 10.1016/S0960-894X(01)80737-X | Adenosine A2 receptor | 1 |
| - | 10.1016/S0960-894X(01)80737-X | No relevant target | 1 |
| - | 10.1016/S0960-894X(97)10177-9 | Adenosine receptor A1 | 1 |
| - | 10.1016/S0960-894X(97)10177-9 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine