Compound Detail
CHEMBL2371021
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2371021 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WJXAVNPIJIPGMN-PNGYUKAISA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1016.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 8.1 | 7.85 | 7.9 | 2 |
| Angiotensin II receptor CHEMBL2094112 | Kd | 7.5 | 7.5 | 31.6 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Kd | 7.5 | 7.5 | 31.6 | 1 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 7.943 | nM | 8.1 | Compound was tested for antagonist activity in rat isolated uterus assay; pA2 is... | 4009600 |
| Rattus norvegicus | Kd | = | 25.12 | nM | 7.6 | In vitro myotropic property in rat isolated uterus, expressed as pA2 | 2329570 |
| Angiotensin II receptor (AT-1) type-1 | Kd | = | 31.62 | nM | 7.5 | Antagonistic activity against Angiotensin II receptor type 1 in rat uterus | 10782679 |
| Angiotensin II receptor | Kd | = | 31.62 | nM | 7.5 | Angiotensin II receptor antagonist activity was tested in rat isolated uterus as... | 3754902 |
| Oryctolagus cuniculus | Kd | = | 79.43 | nM | 7.1 | Antagonist activity pA2, was measured in the in vitro rabbit aorta strip assay | 2724307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2918497 | 10.1021/jm00123a002 | Rattus norvegicus | 6 |
| 2329570 | 10.1021/jm00167a030 | Rattus norvegicus | 4 |
| 3754902 | 10.1021/jm00156a035 | Angiotensin II receptor | 3 |
| 2724307 | 10.1021/jm00126a037 | Angiotensin II receptor | 2 |
| 4009600 | 10.1021/jm00383a015 | Rattus norvegicus | 2 |
| 2724307 | 10.1021/jm00126a037 | Oryctolagus cuniculus | 1 |
| 2724307 | 10.1021/jm00126a037 | Rattus norvegicus | 1 |
| 10782679 | 10.1016/s0960-894x(00)00079-2 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine