Compound Detail
CHEMBL5179504
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CCOCc1nc(=O)c(C(=O)N2CC[C@H](c3ccccc3F)C2)c(O)n1-c1c(OC)cccc1OC
Basic Information
| ChEMBL ID | CHEMBL5179504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUXCTAQPHSQHRI-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
3.26
ALogP
8
HBA
1
HBD
103.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | EC50 | 10.15 | 10.15 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | EC50 | = | 0.07 | nM | 10.15 | Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition o... | 34855405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34855405 | 10.1021/acs.jmedchem.1c01504 | ADMET | 3 |
| 34855405 | 10.1021/acs.jmedchem.1c01504 | Apelin receptor | 1 |
Data from ChEMBL 36 via Core Engine