Compound Detail
CHEMBL3786145
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
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3786145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APPMXIIOSPZAMH-HJYQNBTFSA-N |
| Parent Compound | CHEMBL3787767 |
| Active Moiety | CHEMBL3787767 |
1
Targets
4
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1160.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.85
IC50 1 meas. best 8.21
Ki 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | EC50 | 8.85 | 8.85 | 1.4 | 2 |
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | EC50 | = | 1.4 | nM | 8.85 | Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Ga... | 26824643 |
| Type-1 angiotensin II receptor | EC50 | = | 1.413 | nM | 8.85 | Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Ga... | 26824643 |
| Type-1 angiotensin II receptor | Ki | = | 2.1 | nM | 8.68 | Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Va... | 26824643 |
| Type-1 angiotensin II receptor | IC50 | = | 6.166 | nM | 8.21 | Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Va... | 26824643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26824643 | 10.1021/acs.jmedchem.5b01495 | Type-1 angiotensin II receptor | 4 |
| 26824643 | 10.1021/acs.jmedchem.5b01495 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine