Compound Detail
CHEMBL1668007
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CCCCc1nc2ccn(CC(=O)N3CCCCC3)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCc2ccccc2)cc1F
Basic Information
| ChEMBL ID | CHEMBL1668007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRTIJEBZPDTYRV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
713.8
MW (Da)
6.02
ALogP
9
HBA
1
HBD
132.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 3.5 | nM | 8.46 | Binding affinity to angiotensin AT2 receptor | 21071232 |
| Type-1 angiotensin II receptor | IC50 | = | 4.7 | nM | 8.33 | Binding affinity to angiotensin AT1 receptor | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-2 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
| - | 10.6019/CHEMBL5441142 | Schistosoma mansoni | 1 |
Data from ChEMBL 36 via Core Engine