Compound Detail
CHEMBL3142967
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Basic Information
| ChEMBL ID | CHEMBL3142967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUCXWDWEQQGOTG-LKEWCRSYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
284.7
MW (Da)
0.31
ALogP
7
HBA
3
HBD
106.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 23000.0 | nM | 4.64 | Inhibition calf intestine adenosine deaminase | 7562937 |
| Adenosine receptor A1 | Ki | = | 29000.0 | nM | 4.54 | Binding affinity to adenosine A1 receptor in rat brain membranes by measuring di... | 7707320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873575 | 10.1016/s0960-894x(98)00452-1 | ADMET | 4 |
| 7562937 | 10.1021/jm00020a017 | Human immunodeficiency virus 1 | 1 |
| 7562937 | 10.1021/jm00020a017 | C8166 | 1 |
| 7562937 | 10.1021/jm00020a017 | Adenosine deaminase | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A1 | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A2a | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine