Compound Detail
CHEMBL219862
DEMOTENSIN 3 Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL219862 |
| Name | DEMOTENSIN 3 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXQNJIPZSZMHCW-FZJJICHOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1018.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | IC50 | 9.18 | 9.0 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | IC50 | = | 0.66 | nM | 9.18 | Displacement of [125I]Tyr3-NT from human NTS1R expressed in WiDr cells | 16854083 |
| Neurotensin receptor type 1 | IC50 | = | 1.5 | nM | 8.82 | Displacement of [125I]Tyr3-NT from human NTS1R expressed in HT29 cells | 16854083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854083 | 10.1021/jm060415g | Neurotensin receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine