Compound Detail
CHEMBL89052
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
C=CC(O)(C(=O)O)c1c(SC)nc(CCC)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL89052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMIIEHWYLWAFLM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
634.8
MW (Da)
4.92
ALogP
8
HBA
4
HBD
150.6
PSA (Ų)
0.12
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 4.8 | nM | 8.32 | In vitro binding affinity at Angiotensin II Type 1 receptor in rat liver membran... | - |
| Type-2 angiotensin II receptor | IC50 | = | 5.0 | nM | 8.3 | In vitro binding affinity at Angiotensin II Type 2 receptor in rabbit uterus mem... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00479-D | Rattus norvegicus | 2 |
| - | 10.1016/0960-894X(95)00479-D | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/0960-894X(95)00479-D | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine