Compound Detail
CHEMBL145017
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
CCCCC1=NC(c2ccccc2)=C(C(=O)OCC)C(C)N1Cc1ccc(-c2ccccc2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL145017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFLHXDDFBMSVHA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
6.82
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 6.07 | 6.07 | 850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 850.0 | nM | 6.07 | Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal cortical me... | 1469703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1469703 | 10.1021/jm00103a014 | Type-1 angiotensin II receptor B | 1 |
| 1469703 | 10.1021/jm00103a014 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine