Compound Detail
CHEMBL227211
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NCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL227211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVFOIQSLZVLTQL-GDLZYMKVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
4.89
ALogP
3
HBA
3
HBD
91.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 6.89 | 6.89 | 129.0 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 6.5 | 6.5 | 318.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 6.45 | 6.45 | 357.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | IC50 | = | 129.0 | nM | 6.89 | Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST4 receptor | 17559206 |
| Somatostatin receptor type 5 | IC50 | = | 318.0 | nM | 6.5 | Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST5 receptor | 17559206 |
| Somatostatin receptor type 2 | IC50 | = | 357.0 | nM | 6.45 | Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST2 receptor | 17559206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17559206 | 10.1021/jm070246f | Somatostatin receptor type 1 | 1 |
| 17559206 | 10.1021/jm070246f | Somatostatin receptor type 2 | 1 |
| 17559206 | 10.1021/jm070246f | Somatostatin receptor type 3 | 1 |
| 17559206 | 10.1021/jm070246f | Somatostatin receptor type 4 | 1 |
| 17559206 | 10.1021/jm070246f | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine