Compound Detail
CHEMBL5991898
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COc1cccc(OC)c1-n1c(CCC(C)C)nc(=O)c(S(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)c1O
Basic Information
| ChEMBL ID | CHEMBL5991898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCAWCTAAWZTIAS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
5.18
ALogP
8
HBA
1
HBD
107.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | EC50 | = | 5.0 | nM | 8.3 | Intracellular cAMP Accumulation Assay: HEK293 cells stably expressing human APJ ... | - |
Data from ChEMBL 36 via Core Engine