Compound Detail
CHEMBL3622802
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3622802 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HMLFJQHLNZZDCB-VDXNIVNJSA-N |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
791.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.85
IC50 2 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | IC50 | 10.7 | 10.7 | 0.0 | 1 |
| Neurotensin receptor type 2 CHEMBL2514 | IC50 | 9.59 | 9.59 | 0.3 | 1 |
| Neurotensin receptor type 1 CHEMBL3027 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 8.83 | 8.825 | 1.5 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.02217 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | IC50 | = | 0.02 | nM | 10.7 | Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell ... | 26348111 |
| Neurotensin receptor type 2 | IC50 | = | 0.26 | nM | 9.59 | Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell... | 26348111 |
| Neurotensin receptor type 1 | EC50 | = | 1.41 | nM | 8.85 | Agonist activity at human NTS1 in Sprague-Dawley rat ileum assessed as inhibitio... | 26348111 |
| Neurotensin receptor type 1 | EC50 | = | 1.49 | nM | 8.83 | Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing h... | 26348111 |
| Neurotensin receptor type 1 | EC50 | = | 1.51 | nM | 8.82 | Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing G... | 26348111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26348111 | 10.1021/acs.jmedchem.5b00841 | Rattus norvegicus | 7 |
| 26348111 | 10.1021/acs.jmedchem.5b00841 | Neurotensin receptor type 1 | 4 |
| 26348111 | 10.1021/acs.jmedchem.5b00841 | Neurotensin receptor type 2 | 1 |
| 26348111 | 10.1021/acs.jmedchem.5b00841 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine