Compound Detail
CHEMBL5180116
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Basic Information
| ChEMBL ID | CHEMBL5180116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMDUPTCQDDHGDE-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.43
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.24
EC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 7.24 | 7.24 | 57.0 | 2 |
| Somatostatin receptor type 4 CHEMBL1853 | EC50 | 7.11 | 7.11 | 77.7 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | EC50 | 7.11 | 7.11 | 77.7 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 5.36 | 5.36 | 4336.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 57.1 | nM | 7.24 | Displacement of [125I]-Tyr-SRIF 14 from human SST4 receptor expressed in membran... | 34458738 |
| Somatostatin receptor type 4 | Ki | = | 57.0 | nM | 7.24 | Radioligand Binding Assay: Competitive radioligand binding experiments were perf... | - |
| Somatostatin receptor type 4 | EC50 | = | 77.7 | nM | 7.11 | Agonist activity at recombinant human SST4 receptor expressed in CHO-K1 cells as... | 34458738 |
| Somatostatin receptor type 3 | EC50 | = | 77.7 | nM | 7.11 | Activity Assays: Measurement of forskolin stimulated inhibition of cAMP was perf... | - |
| Somatostatin receptor type 1 | Ki | = | 4336.0 | nM | 5.36 | Displacement of [125I]-Tyr-SRIF 14 from SST1 receptor (unknown origin) expressed... | 34458738 |
| Somatostatin receptor type 1 | Ki | = | 4336.0 | nM | 5.36 | Radioligand Binding Assay: Competitive radioligand binding experiments were perf... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34458738 | 10.1039/D1MD00044F | Somatostatin receptor type 4 | 2 |
| 34458738 | 10.1039/D1MD00044F | Somatostatin receptor type 2 | 1 |
| 34458738 | 10.1039/D1MD00044F | Somatostatin receptor type 1 | 1 |
| 34458738 | 10.1039/D1MD00044F | Somatostatin receptor type 3 | 1 |
| 34458738 | 10.1039/D1MD00044F | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine