Compound Detail
CHEMBL3417384
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
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3417384 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LMQDMZSFVLWHRX-CFQBONLKSA-N |
1
Targets
7
Activities
3
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1621.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.46
IC50 1 meas. best 10.7
Ki 1 meas. best 10.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | Ki | 10.8 | 10.8 | 0.0 | 1 |
| Apelin receptor CHEMBL1628481 | IC50 | 10.7 | 10.7 | 0.0 | 1 |
| Apelin receptor CHEMBL1628481 | EC50 | 9.46 | 8.658 | 0.3 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | Ki | = | 0.016 | nM | 10.8 | Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human... | 25668242 |
| Apelin receptor | IC50 | = | 0.02 | nM | 10.7 | Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human... | 25668242 |
| Apelin receptor | EC50 | = | 0.35 | nM | 9.46 | Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inh... | 25668242 |
| Apelin receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at human APJ receptor expressed in HEK293 cells assessed as ind... | 25668242 |
| Apelin receptor | EC50 | = | 1.4 | nM | 8.85 | Agonist activity at human APJ receptor expressed in HEK293 cells assessed as ind... | 25668242 |
| Apelin receptor | EC50 | = | 7.4 | nM | 8.13 | Agonist activity at human APJ receptor expressed in HEK293 cells assessed as ind... | 25668242 |
| Apelin receptor | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at human APJ receptor expressed in HEK293 cells assessed as ind... | 25668242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25668242 | 10.1021/jm501916k | Apelin receptor | 8 |
| 25668242 | 10.1021/jm501916k | Rattus norvegicus | 1 |
| 25668242 | 10.1021/jm501916k | Plasma | 1 |
Data from ChEMBL 36 via Core Engine