Compound Detail
CHEMBL439968
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Basic Information
| ChEMBL ID | CHEMBL439968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJBPPMVTBDRYFK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
5.30
ALogP
3
HBA
1
HBD
70.0
PSA (Ų)
0.68
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
EC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Leukotriene B4 receptor 2 CHEMBL3191 | EC50 | 5.83 | 5.83 | 1490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 10.0 | nM | 8.0 | Binding affinity for Angiotensin II receptor, type 1 measured by ability to disp... | 8230127 |
| Oryctolagus cuniculus | IC50 | = | 63.0 | nM | 7.2 | Antagonistic activity through inhibition of A II induced contractions on rabbit ... | 8230127 |
| Type-1 angiotensin II receptor | IC50 | = | 190.0 | nM | 6.72 | Antagonist activity at human AT1 overexpressed in CHO-K1 cells in presence of 10... | 34413955 |
| Leukotriene B4 receptor 2 | EC50 | = | 1490.0 | nM | 5.83 | Agonist activity at human BLT2 overexpressed in CHO-K1 cells assessed as accumul... | 34413955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413955 | 10.1021/acsmedchemlett.1c00240 | Leukotriene B4 receptor 2 | 2 |
| 8230127 | 10.1021/jm00074a018 | Type-1 angiotensin II receptor B | 1 |
| 8230127 | 10.1021/jm00074a018 | Oryctolagus cuniculus | 1 |
| 34413955 | 10.1021/acsmedchemlett.1c00240 | Type-1 angiotensin II receptor | 1 |
| 34413955 | 10.1021/acsmedchemlett.1c00240 | Leukotriene B4 receptor 1 | 1 |
| 34413955 | 10.1021/acsmedchemlett.1c00240 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine