Compound Detail
CHEMBL323125
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CCNC(=O)c1c(C2CC2)nc(CC)n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1
Basic Information
| ChEMBL ID | CHEMBL323125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTTNJKRAAFIWRX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
560.5
MW (Da)
5.48
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | Ki | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Ki | = | 0.3981 | nM | 9.4 | Tested for in vitro binding affinity against angiotensin II receptor of rat live... | 7932534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932534 | 10.1021/jm00045a016 | Rattus norvegicus | 3 |
| 7932534 | 10.1021/jm00045a016 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine