Compound Detail
CHEMBL413740
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CC1(C)SSC(C)(C)[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL413740 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HIMIFRXDGSGVAB-RBUPEUJGSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1094.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.05
EC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 9.05 | 8.6625 | 0.9 | 4 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 6.66 | 6.66 | 217.0 | 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 | = | 0.9 | nM | 9.05 | Inhibitory concentration against [125 I]Ang II binding to rat pituitary membrane... | 9083479 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 2.6 | nM | 8.59 | Inhibitory concentration against specific binding of [125 I]Ang II to rat uterin... | 9083479 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 2.6 | nM | 8.59 | Concentration required to 50% inhibition in specific binding of [125- I]A-II to ... | 2362273 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 3.8 | nM | 8.42 | Inhibitory concentration against specific binding of [125 I]Ang II to rat pituit... | 9083479 |
| Oryctolagus cuniculus | EC50 | = | 217.0 | nM | 6.66 | Concentration which produces 50% of maximal contractile response at rabbit aorta... | 9083479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083479 | 10.1021/jm960553d | Angiotensin II receptor (AT-1) type-1 | 3 |
| 2362273 | 10.1021/jm00169a019 | Oryctolagus cuniculus | 2 |
| 9083479 | 10.1021/jm960553d | Oryctolagus cuniculus | 1 |
| 2362273 | 10.1021/jm00169a019 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine