Compound Detail
CHEMBL3350913
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C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3350913 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NMRRBNKBWQUUMO-KZGZDLGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
927.1
MW (Da)
-1.30
ALogP
13
HBA
12
HBD
329.1
PSA (Ų)
0.08
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | IC50 | = | 3.5 | nM | 8.46 | Binding affinity towards human Somatostatin receptor type 4 using 125I-[Leu8,DTr... | 14667215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667215 | 10.1021/jm030246p | Somatostatin receptor type 2 | 2 |
| 14667215 | 10.1021/jm030246p | Somatostatin receptor type 3 | 2 |
| 14667215 | 10.1021/jm030246p | Somatostatin receptor type 1 | 1 |
| 14667215 | 10.1021/jm030246p | Somatostatin receptor type 4 | 1 |
| 14667215 | 10.1021/jm030246p | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine