Compound Detail
CHEMBL217622
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C=C1C(C(=O)O)=C(c2ccc(Cn3c(CCC)nc4c(C)cc(C)nc43)cc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL217622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOZITMNQRFVGCQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
5.96
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 7.22 | 7.22 | 60.0 | 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 | = | 60.0 | nM | 7.22 | Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in rat hepatic membrane | 17064065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064065 | 10.1021/jm0603163 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine