Compound Detail
CHEMBL69379
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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)CSC[C@@H](C(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL69379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCLWZDVCIUHXSH-JOXPAQKRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
900.1
MW (Da)
-0.23
ALogP
11
HBA
11
HBD
300.0
PSA (Ų)
0.07
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 5 CHEMBL4318 | IC50 | 6.3 | 6.3 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 5 | IC50 | = | 500.0 | nM | 6.3 | Compound was tested for the inhibition of rSSTR5 | 9216844 |
| Somatostatin receptor type 5 | IC50 | = | 500.0 | nM | 6.3 | Tested for inhibition of radioligand binding to cloned somatostatin receptor rSS... | 9216843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216844 | 10.1021/jm960851a | Somatostatin receptor type 2 | 1 |
| 9216844 | 10.1021/jm960851a | Somatostatin receptor type 5 | 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 | Somatostatin receptor type 5 | 1 |
| 9216843 | 10.1021/jm960850i | Rattus norvegicus | 1 |
| 9216843 | 10.1021/jm960850i | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine