Compound Detail
CHEMBL4795982
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
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)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)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4795982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGMAXEWLXWJGSF-FRUVMYAQSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1533.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.62
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL2398 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Apelin receptor CHEMBL1628481 | EC50 | 8.62 | 8.62 | 2.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | IC50 | = | 0.302 | nM | 9.52 | Displacement of [125I]-pyr-1-apelin-13 from EGFP-tagged wild-type rat apelin rec... | 33001648 |
| Apelin receptor | EC50 | = | 2.399 | nM | 8.62 | Activation of APJ receptor (unknown origin) expressed in Chem-5 cells assessed a... | 33001648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33001648 | 10.1021/acs.jmedchem.0c01395 | Apelin receptor | 3 |
| 33001648 | 10.1021/acs.jmedchem.0c01395 | ADMET | 1 |
| 33001648 | 10.1021/acs.jmedchem.0c01395 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine