Compound Detail
CHEMBL4877813
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Basic Information
| ChEMBL ID | CHEMBL4877813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIXILZKSFQODQM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.13
ALogP
8
HBA
1
HBD
107.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | EC50 | 9.3 | 8.8 | 0.5 | 2 |
| Apelin receptor CHEMBL2398 | EC50 | 9.05 | 9.05 | 0.9 | 1 |
| Apelin receptor CHEMBL4879524 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | EC50 | = | 0.5 | nM | 9.3 | Agonist activity at human APJ receptor assessed as effect on cAMP accumulation b... | 34403724 |
| Apelin receptor | EC50 | = | 0.9 | nM | 9.05 | Agonist activity at rat APJ receptor assessed as effect on cAMP accumulation by ... | 34403724 |
| Apelin receptor | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation b... | 34403724 |
| Apelin receptor | EC50 | = | 5.0 | nM | 8.3 | Intracellular cAMP Accumulation Assay: HEK293 cells stably expressing human APJ ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34403724 | 10.1016/j.bmcl.2021.128325 | ADMET | 5 |
| 34403724 | 10.1016/j.bmcl.2021.128325 | Apelin receptor | 3 |
Data from ChEMBL 36 via Core Engine