Compound Detail
CHEMBL302478
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CCCCc1nn(CC(=O)C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL302478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSYXTMPKBPJYGK-IXVHCMBASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
5.07
ALogP
8
HBA
1
HBD
111.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Kd 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.1 | 8.1 | 7.9 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 7.943 | nM | 8.1 | Antagonism of angiotensin-II mediated contraction of rabbit aortic rings express... | 8340920 |
| Type-1 angiotensin II receptor B | IC50 | = | 25.0 | nM | 7.6 | Inhibition of [125I]angiotensin-II binding to the angiotensin II receptor type 1... | 8340920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8340920 | 10.1021/jm00067a015 | Type-1 angiotensin II receptor B | 1 |
| 8340920 | 10.1021/jm00067a015 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine