Compound Detail
CHEMBL3622805
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CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3622805 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JXXKKBSAIYYKNT-JNRWAQIZSA-N |
2
Targets
4
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
833.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.38
IC50 2 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 8.38 | 7.535 | 4.2 | 2 |
| Neurotensin receptor type 2 CHEMBL2514 | IC50 | 7.53 | 7.53 | 29.7 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | IC50 | 6.61 | 6.61 | 246.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 4.19 | nM | 8.38 | Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing h... | 26348111 |
| Neurotensin receptor type 2 | IC50 | = | 29.7 | nM | 7.53 | Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell... | 26348111 |
| Neurotensin receptor type 1 | EC50 | = | 203.7 | nM | 6.69 | Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing G... | 26348111 |
| Neurotensin receptor type 1 | IC50 | = | 246.0 | nM | 6.61 | Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell ... | 26348111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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