Compound Detail
CHEMBL5190259
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COc1cccc(OC)c1-n1c(CCCC(F)(F)F)nc(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1O
Basic Information
| ChEMBL ID | CHEMBL5190259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZZPPQVNWQRGIE-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
531.5
MW (Da)
4.47
ALogP
7
HBA
1
HBD
93.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | EC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | EC50 | = | 1.9 | nM | 8.72 | 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 | 5 |
| 34855405 | 10.1021/acs.jmedchem.1c01504 | Apelin receptor | 1 |
Data from ChEMBL 36 via Core Engine