Compound Detail
CHEMBL1945149
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CCCc1nc2c(C)cc(C(=O)NCCc3ccc(F)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL1945149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGICQOPXUHBZIZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
6.82
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 6.7 | 6.7 | 198.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 198.0 | nM | 6.7 | Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 ... | 22309912 |
| Type-2 angiotensin II receptor | IC50 | = | 1300.0 | nM | 5.89 | Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT2 receptor after 180 ... | 22309912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22309912 | 10.1016/j.ejmech.2012.01.009 | Type-1 angiotensin II receptor | 1 |
| 22309912 | 10.1016/j.ejmech.2012.01.009 | Type-2 angiotensin II receptor | 1 |
| 22309912 | 10.1016/j.ejmech.2012.01.009 | Photobacterium phosphoreum | 1 |
Data from ChEMBL 36 via Core Engine