Compound Detail
CHEMBL309094
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CCCc1nc(-n2c(C)ccc2CCC)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL309094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPAWCUOJJMOTDD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
5.57
ALogP
8
HBA
1
HBD
103.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 7.82 | 7.82 | 15.1 | 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 | = | 15.1 | nM | 7.82 | Inhibitory concentration against binding of [125I]angiotensin II to rat liver ex... | 8360871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360871 | 10.1021/jm00068a002 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8360871 | 10.1021/jm00068a002 | Angiotensin II receptor | 1 |
| 8360871 | 10.1021/jm00068a002 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine