Compound Detail
CHEMBL290370
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CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(=O)OCCC2CCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL290370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULSVZBGYYORWSZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
622.9
MW (Da)
7.58
ALogP
8
HBA
1
HBD
103.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 62.0 | nM | 7.21 | Binding affinity at Angiotensin II receptor, type 1 in rat liver membranes by [1... | 14998339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14998339 | 10.1021/jm031031i | Angiotensin II receptor (AT-1) type-1 | 1 |
| 14998339 | 10.1021/jm031031i | Type-2 angiotensin II receptor | 1 |
| 14998339 | 10.1021/jm031031i | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine