Compound Detail
CHEMBL5197201
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Basic Information
| ChEMBL ID | CHEMBL5197201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKOTYLIRWRFADJ-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
4.95
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.3
EC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 5.91 | 5.91 | 1235.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 5.36 | 5.36 | 4398.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | EC50 | = | 0.1 | nM | 10.0 | Agonist activity at recombinant human SST4 receptor expressed in CHO-K1 cells as... | 34458738 |
| Somatostatin receptor type 4 | Ki | = | 0.5 | nM | 9.3 | Displacement of [125I]-Tyr-SRIF 14 from human SST4 receptor expressed in membran... | 34458738 |
| Somatostatin receptor type 1 | Ki | = | 1235.0 | nM | 5.91 | Displacement of [125I]-Tyr-SRIF 14 from SST1 receptor (unknown origin) expressed... | 34458738 |
| Somatostatin receptor type 2 | Ki | = | 4000.0 | nM | 5.4 | Displacement of [125I]-Tyr-SRIF 14 from human SST2A receptor expressed in membra... | 34458738 |
| Somatostatin receptor type 3 | Ki | = | 4398.0 | nM | 5.36 | Displacement of [125I]-Tyr-SRIF 14 from SST3 receptor (unknown origin) expressed... | 34458738 |
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