Compound Detail
CHEMBL3647676
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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](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3647676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTIFFBYOEZNBTJ-BGUUXQBZSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1604.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 9.92 | 9.92 | 0.1 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 9.04 | 9.04 | 0.9 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 7.97 | 7.97 | 10.6 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 7.42 | 7.42 | 38.1 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 7.03 | 7.03 | 93.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.74 | 6.74 | 182.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | Ki | = | 0.12 | nM | 9.92 | Radioligand Binding Assay: Membranes for in vitro receptor binding assays were o... | - |
| Somatostatin receptor type 5 | Ki | = | 0.92 | nM | 9.04 | Radioligand Binding Assay: Membranes for in vitro receptor binding assays were o... | - |
| Somatostatin receptor type 3 | Ki | = | 10.6 | nM | 7.97 | Radioligand Binding Assay: Membranes for in vitro receptor binding assays were o... | - |
| Somatostatin receptor type 1 | Ki | = | 38.1 | nM | 7.42 | Radioligand Binding Assay: Membranes for in vitro receptor binding assays were o... | - |
| Somatostatin receptor type 4 | Ki | = | 93.5 | nM | 7.03 | Radioligand Binding Assay: Membranes for in vitro receptor binding assays were o... | - |
| D(2) dopamine receptor | Ki | = | 182.5 | nM | 6.74 | Radioligand Binding Assay: The affinity of a test compound for the human dopamin... | - |
Data from ChEMBL 36 via Core Engine