Compound Detail
CHEMBL3622806
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3622806 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KCJQSOXJEGOSQZ-GCNYMACQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
805.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 2 CHEMBL2514 | IC50 | 8.3 | 7.985 | 5.0 | 2 |
| Neurotensin receptor type 1 CHEMBL4123 | IC50 | 7.82 | 7.79 | 15.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human NTR2 | 36096342 |
| Neurotensin receptor type 1 | IC50 | = | 15.2 | nM | 7.82 | Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell ... | 26348111 |
| Neurotensin receptor type 1 | IC50 | = | 17.5 | nM | 7.76 | Inhibition of human NTR1 | 36096342 |
| Neurotensin receptor type 2 | IC50 | = | 21.2 | nM | 7.67 | Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell... | 26348111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26348111 | 10.1021/acs.jmedchem.5b00841 | Neurotensin receptor type 1 | 1 |
| 26348111 | 10.1021/acs.jmedchem.5b00841 | Neurotensin receptor type 2 | 1 |
| 36096342 | 10.1016/j.bmcl.2022.128983 | Neurotensin receptor type 1 | 1 |
| 36096342 | 10.1016/j.bmcl.2022.128983 | Neurotensin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine