Compound Detail
CHEMBL414836
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Basic Information
| ChEMBL ID | CHEMBL414836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBYVOFWUGXPDMO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
5.77
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
EC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 6.62 | 6.62 | 238.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 30.0 | nM | 7.52 | Binding affinity against Angiotensin II receptor, type 1 using [125I]Sar-Ile8-AI... | - |
| Type-1 angiotensin II receptor | IC50 | = | 238.0 | nM | 6.62 | Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 rec... | 21557540 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2200.0 | nM | 5.66 | Partial agonist activity at human PPARgamma-LBD/Gal4 DNA binding domain by trans... | 21557540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21557540 | 10.1021/jm200409s | Peroxisome proliferator-activated receptor gamma | 2 |
| - | 10.1016/S0960-894X(01)81128-8 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 21557540 | 10.1021/jm200409s | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine