Compound Detail
CHEMBL2058374
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCc1nc2ccc(Br)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
Basic Information
| ChEMBL ID | CHEMBL2058374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDVOEHGCFMJVQS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
593.5
MW (Da)
7.26
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 9.8 | nM | 8.01 | Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 c... | 22750010 |
| Type-1 angiotensin II receptor | IC50 | = | 10.0 | nM | 8.0 | Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal... | 22750010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22750010 | 10.1016/j.bmc.2012.06.011 | Type-1 angiotensin II receptor | 1 |
| 22750010 | 10.1016/j.bmc.2012.06.011 | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine