Compound Detail
CHEMBL2058858
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CCCc1nc2c(C)cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL2058858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTUYUCGJCJNQCG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
601.7
MW (Da)
6.14
ALogP
8
HBA
2
HBD
119.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.01 | 7.01 | 96.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 96.8 | nM | 7.01 | Displacement of [125I]Sar1Ile8-Ang2 from angiotensin AT1 receptor after 180 mins... | 22727371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727371 | 10.1016/j.bmc.2012.05.056 | Type-1 angiotensin II receptor | 1 |
| 22727371 | 10.1016/j.bmc.2012.05.056 | Photobacterium phosphoreum | 1 |
Data from ChEMBL 36 via Core Engine