Compound Detail
CHEMBL421493
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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](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@H](C(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL421493 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KDRDDUWNTUSPFR-IAGZALEMSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
932.1
MW (Da)
0.42
ALogP
12
HBA
11
HBD
300.0
PSA (Ų)
0.06
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 5 CHEMBL4318 | IC50 | 7.97 | 7.97 | 10.6 | 2 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 7.96 | 7.96 | 10.9 | 2 |
| Somatostatin receptor type 2 CHEMBL3207 | IC50 | 7.87 | 7.87 | 13.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 5 | IC50 | = | 10.63 | nM | 7.97 | Compound was tested for the inhibition of rSSTR5 | 9216844 |
| Somatostatin receptor type 5 | IC50 | = | 10.63 | nM | 7.97 | Tested for inhibition of radioligand binding to cloned somatostatin receptor rSS... | 9216843 |
| Somatostatin receptor type 5 | IC50 | = | 10.95 | nM | 7.96 | compound was tested for the inhibition of human somatostatin receptor 5 (hSSTR5) | 9216844 |
| Somatostatin receptor type 5 | IC50 | = | 10.95 | nM | 7.96 | Tested for inhibition of radioligand binding to cloned somatostatin receptor hSS... | 9216843 |
| Somatostatin receptor type 2 | IC50 | = | 13.62 | nM | 7.87 | Compound was tested for the inhibition of mSSTR2b | 9216844 |
| Somatostatin receptor type 2 | IC50 | = | 13.62 | nM | 7.87 | Tested for inhibition of radioligand binding to cloned somatostatin receptor mSS... | 9216843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216844 | 10.1021/jm960851a | Somatostatin receptor type 5 | 2 |
| 9216843 | 10.1021/jm960850i | Somatostatin receptor type 5 | 2 |
| 9216844 | 10.1021/jm960851a | Somatostatin receptor type 2 | 1 |
| 9216843 | 10.1021/jm960850i | Somatostatin receptor type 2 | 1 |
| 9216843 | 10.1021/jm960850i | Somatostatin receptor type 3 | 1 |
| 9216843 | 10.1021/jm960850i | Somatostatin receptor type 4 | 1 |
| 9216843 | 10.1021/jm960850i | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine