Compound Detail
CHEMBL126755
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CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
Basic Information
| ChEMBL ID | CHEMBL126755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAIIKBZUVAKIAR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
6.00
ALogP
6
HBA
1
HBD
104.9
PSA (Ų)
0.36
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| Endothelin-1 receptor CHEMBL252 | Ki | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 4.7 | nM | 8.33 | Compound was evaluated for its binding affinity towards rat Angiotensin II recep... | 12190306 |
| Endothelin-1 receptor | Ki | = | 39.0 | nM | 7.41 | Compound was evaluated for its binding affinity towards human Endothelin A recep... | 12190306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12190306 | 10.1021/jm020138n | Type-1 angiotensin II receptor B | 1 |
| 12190306 | 10.1021/jm020138n | Type-1 angiotensin II receptor | 1 |
| 12190306 | 10.1021/jm020138n | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine