Compound Detail
CHEMBL114625
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)c1ccccc1-c1ccc(CN2C(=O)C3(CCCC3)N=C2C(F)(F)C(F)(F)C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL114625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGDOQMAVWCXZMF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.4
MW (Da)
5.94
ALogP
3
HBA
1
HBD
70.0
PSA (Ų)
0.48
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 10000.0 | nM | 5.0 | Binding affinity for Angiotensin II receptor, type 1 measured by ability to disp... | 8230127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230127 | 10.1021/jm00074a018 | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine