Compound Detail
CHEMBL292892
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CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL292892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXMJCBAYROCMQD-LICLKQGHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
4.65
ALogP
7
HBA
2
HBD
135.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 0.15 | nM | 9.82 | Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesent... | 8515425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8515425 | 10.1021/jm00065a011 | Angiotensin II receptor | 3 |
Data from ChEMBL 36 via Core Engine