Compound Detail
CHEMBL439350
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CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](NN2Cc3ccccc3CC2C(=O)O)CSSC[C@@H](C(=O)NN2Cc3ccccc3CC2C(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL439350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZXPLNACSQIOBU-DEYQLAJGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1056.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 6.46 | 6.46 | 345.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 6.1 | 6.1 | 802.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | Ki | = | 345.0 | nM | 6.46 | The compound was tested for binding affinity against human Somatostatin receptor... | 10354394 |
| Somatostatin receptor type 3 | Ki | = | 802.0 | nM | 6.1 | The compound was tested for binding affinity against human Somatostatin receptor... | 10354394 |
| Somatostatin receptor type 1 | Ki | = | 1030.0 | nM | 5.99 | The compound was tested for binding affinity against human Somatostatin receptor... | 10354394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 1 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 2 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 3 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 4 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 5 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor | 1 |
Data from ChEMBL 36 via Core Engine