Compound Detail
CHEMBL423021
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
CCCCc1nc(C)n(Cc2sccc2C(=O)O)c(=O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL423021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPZSHWMPROTPDC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
5.66
ALogP
6
HBA
2
HBD
109.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 6.74 | 6.74 | 181.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 181.0 | nM | 6.74 | Displacement of [3H]angiotensin II from Angiotensin II type 1 receptor in rat ad... | 7490730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490730 | 10.1021/jm00024a008 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 7490730 | 10.1021/jm00024a008 | Type-1 angiotensin II receptor | 1 |
| 7490730 | 10.1021/jm00024a008 | Angiotensin II receptor | 1 |
| 7490730 | 10.1021/jm00024a008 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine