Compound Detail
CHEMBL4299329
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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)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)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.[Br-]
Basic Information
| ChEMBL ID | CHEMBL4299329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPIKARGCYIAHCZ-XNJXDLKESA-N |
| Parent Compound | CHEMBL4302429 |
| Active Moiety | CHEMBL4302429 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1626.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Ki | = | 13.0 | nM | 7.89 | 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 | 2 |
| 26824643 | 10.1021/acs.jmedchem.5b01495 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine