Compound Detail
CHEMBL4472749
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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)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4472749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MANYOOSEQMUKFO-NHWMPMGMSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
2759.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 27.0 | hr | Homo sapiens |
| T1/2 | 2.9 | hr | Homo sapiens |
| T1/2 | 30.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | EC50 | = | 2.5 | nM | 8.6 | Activation of recombinant human APJ expressed in rat Chem5 cells co-expressing G... | 30690406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30690406 | 10.1016/j.ejmech.2019.01.040 | Plasma kallikrein | 3 |
| 30690406 | 10.1016/j.ejmech.2019.01.040 | Neprilysin | 2 |
| 30690406 | 10.1016/j.ejmech.2019.01.040 | Mus musculus | 2 |
| 30690406 | 10.1016/j.ejmech.2019.01.040 | Apelin receptor | 2 |
Data from ChEMBL 36 via Core Engine