Compound Detail
CHEMBL80380
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CCCc1nc(C)n2nc(CC(=O)OCC)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL80380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGFJETUHUOGDAK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
3.93
ALogP
9
HBA
1
HBD
123.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 9.0 | nM | 8.05 | Displacement of [125I]-Sar1-Ile8-A II from rat adrenal Angiotensin-1 (AT-1) rece... | 8057285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057285 | 10.1021/jm00041a016 | Rattus norvegicus | 2 |
| 8057285 | 10.1021/jm00041a016 | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine