Compound Detail
CHEMBL367125
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C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL367125 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GGSHKARHPHVZOO-KLCDHWPJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
932.1
MW (Da)
0.42
ALogP
12
HBA
11
HBD
300.0
PSA (Ų)
0.07
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 6.64 | 6.64 | 229.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 6.28 | 6.28 | 531.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | IC50 | = | 229.0 | nM | 6.64 | Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin rec... | 15658865 |
| Somatostatin receptor type 2 | IC50 | = | 531.0 | nM | 6.28 | Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin rec... | 15658865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 1 | 1 |
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 2 | 1 |
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 3 | 1 |
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 4 | 1 |
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine