Compound Detail
CHEMBL4866732
AZELAPRAG Phase I
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Phase I
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1cncc(C)c1
Basic Information
| ChEMBL ID | CHEMBL4866732 |
| Name | AZELAPRAG |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | DOMQFIFVDIAOOT-ROUUACIJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
523.6
MW (Da)
3.69
ALogP
10
HBA
1
HBD
134.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
EC50 2 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | EC50 | 9.64 | 9.28 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | EC50 | = | 0.23 | nM | 9.64 | Agonist activity at human APJ receptor expressed in HEK293T cells assessed as co... | 34795866 |
| Apelin receptor | EC50 | = | 1.2 | nM | 8.92 | [35S]GTPγS Binding: The human APJ receptor was cloned by polymerase chain reacti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34795866 | 10.1021/acsmedchemlett.1c00385 | Apelin receptor | 1 |
Data from ChEMBL 36 via Core Engine