Compound Detail
CHEMBL304022
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CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL304022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWIVWBRKOUQKEI-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
576.1
MW (Da)
5.77
ALogP
8
HBA
1
HBD
116.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 9.8 | 8.9467 | 0.2 | 3 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 8.15 | 7.91 | 7.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 0.16 | nM | 9.8 | Inhibitory concentration against Angiotensin II receptor type 1 with [125I]-[Sar... | 7636854 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 3.0 | nM | 8.52 | Displacement of [125I]- Ang II from angiotensin II AT1 receptor in rat adrenal c... | - |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of [125I]-[Sar1,Ile8]Ang II binding at rat angiotensin II (type 1) re... | 7636854 |
| Type-2 angiotensin II receptor | IC50 | = | 7.0 | nM | 8.15 | Displacement of [125I]- Ang II from angiotensin II AT2 receptor in rat adrenal c... | - |
| Type-2 angiotensin II receptor | IC50 | = | 7.0 | nM | 8.15 | Inhibition of [125I]-[Sar1,Ile8]Ang II binding at rat angiotensin II (type 2) re... | 7636854 |
| Type-2 angiotensin II receptor | IC50 | = | 37.0 | nM | 7.43 | Inhibitory concentration against Angiotensin II receptor type 2 with [125I]-[Sar... | 7636854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80554-0 | Rattus norvegicus | 3 |
| 7636854 | 10.1021/jm00015a016 | Angiotensin II receptor (AT-1) type-1 | 2 |
| 7636854 | 10.1021/jm00015a016 | Type-2 angiotensin II receptor | 2 |
| 7636854 | 10.1021/jm00015a016 | Angiotensin II receptor | 2 |
| - | 10.1016/S0960-894X(01)80554-0 | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/S0960-894X(01)80554-0 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80554-0 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine