Compound Detail
CHEMBL252355
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
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)C/C=C\C[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL252355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXHDDLDHALOYBD-IOPUJYQWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
981.2
MW (Da)
-0.85
ALogP
12
HBA
13
HBD
332.2
PSA (Ų)
0.05
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 6.38 | 6.38 | 412.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 5 | IC50 | = | 28.0 | nM | 7.55 | Displacement of [125I](Leu8,D-Trp22,Tyr25)-SRIF28 from human sst5 receptor | 18210999 |
| Somatostatin receptor type 2 | IC50 | = | 44.0 | nM | 7.36 | Displacement of [125I](Leu8,D-Trp22,Tyr25)-SRIF28 from human sst2 receptor | 18210999 |
| Somatostatin receptor type 4 | IC50 | = | 412.0 | nM | 6.38 | Displacement of [125I](Leu8,D-Trp22,Tyr25)-SRIF28 from human sst4 receptor | 18210999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18210999 | 10.1021/jm070886i | Somatostatin receptor type 1 | 1 |
| 18210999 | 10.1021/jm070886i | Somatostatin receptor type 2 | 1 |
| 18210999 | 10.1021/jm070886i | Somatostatin receptor type 3 | 1 |
| 18210999 | 10.1021/jm070886i | Somatostatin receptor type 4 | 1 |
| 18210999 | 10.1021/jm070886i | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine