Compound Detail
CHEMBL1688963
ISOGUANOSINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1688963 |
| Name | ISOGUANOSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIKUYHXYGGJMLM-UUOKFMHZSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
283.2
MW (Da)
-2.69
ALogP
9
HBA
5
HBD
159.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.03
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094257 | EC50 | 7.1 | 7.1 | 79.4 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.03 | 7.03 | 94.0 | 2 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.48 | 6.48 | 330.0 | 2 |
| Adenosine receptor A1 CHEMBL2304404 | EC50 | 5.94 | 5.94 | 1148.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | EC50 | = | 79.43 | nM | 7.1 | Coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guine... | 2016707 |
| Adenosine receptor A1 | Ki | = | 94.0 | nM | 7.03 | Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of ... | 2754691 |
| Adenosine receptor A1 | Ki | = | 94.0 | nM | 7.03 | Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine bind... | - |
| Adenosine A2 receptor | Ki | = | 330.0 | nM | 6.48 | Inhibition of [3H]NECA binding to Adenosine A2 receptor of rat striatal membrane... | 2754691 |
| Adenosine A2 receptor | Ki | = | 331.0 | nM | 6.48 | Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striata... | - |
| Adenosine receptor A1 | EC50 | = | 1148.15 | nM | 5.94 | Prolongation of the stimulus-QRS interval by 50% of the maximum response at the ... | 2016707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7328598 | 10.1021/jm00140a007 | Rattus norvegicus | 4 |
| 7328598 | 10.1021/jm00140a007 | Mus musculus | 2 |
| 20921305 | 10.1128/aac.01029-10 | Bacillus anthracis | 2 |
| 2754691 | 10.1021/jm00128a002 | Adenosine receptor A1 | 1 |
| 2754691 | 10.1021/jm00128a002 | Adenosine A2 receptor | 1 |
| 2754691 | 10.1021/jm00128a002 | Adenosine receptors; A1 & A2 | 1 |
| - | 10.1016/S0960-894X(01)81110-0 | Adenosine receptor A1 | 1 |
| - | 10.1016/S0960-894X(01)81110-0 | Adenosine A2 receptor | 1 |
| - | 10.1016/S0960-894X(01)81110-0 | Adenosine receptors; A1 & A2 | 1 |
| 2016707 | 10.1021/jm00108a014 | Adenosine receptor A1 | 1 |
| 2016707 | 10.1021/jm00108a014 | Adenosine A2 receptor | 1 |
| 2016707 | 10.1021/jm00108a014 | Adenosine receptors; A1 & A2 | 1 |
| 20921305 | 10.1128/aac.01029-10 | J774.A1 | 1 |
| 21755941 | 10.1021/jm200650j | Adenosine deaminase-like protein | 1 |
Data from ChEMBL 36 via Core Engine