Compound Detail
CHEMBL407676
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CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)c(I)c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL407676 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QMYVYMLBGWRLCN-UTCOXZLZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1187.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 10.0 | 10.0 | 0.1 | 2 |
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 0.1 | nM | 10.0 | Inhibitory concentration on GH release from rat pituitary cells | 16220980 |
| Rattus norvegicus | IC50 | = | 0.1 | nM | 10.0 | Inhibitory concentration on PRL release from rat pituitary cells | 16220980 |
| Somatostatin receptor type 2 | IC50 | = | 1.4 | nM | 8.85 | Inhibitory concentration against human somatostatin receptor type 2 in CC531 cel... | 16220980 |
| Somatostatin receptor type 5 | IC50 | = | 10.0 | nM | 8.0 | Inhibitory concentration against human somatostatin receptor type 5 in CHO-K1 ce... | 16220980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220980 | 10.1021/jm050376t | Rattus norvegicus | 4 |
| 16220980 | 10.1021/jm050376t | Somatostatin receptor type 2 | 1 |
| 16220980 | 10.1021/jm050376t | Somatostatin receptor type 3 | 1 |
| 16220980 | 10.1021/jm050376t | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine