Compound Detail
CHEMBL427807
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CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL427807 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BIIOOWPFSOAZSO-PSXOHVDKSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
4696.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.66
Ki 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | EC50 | 9.66 | 9.66 | 0.2 | 1 |
| Corticotropin-releasing factor receptor 2 CHEMBL4069 | EC50 | 9.49 | 9.49 | 0.3 | 1 |
| Corticotropin-releasing factor receptor 2 CHEMBL4069 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.43 | 8.43 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | EC50 | = | 0.22 | nM | 9.66 | Activity of peptidic agonists on corticotropin releasing factor receptor using a... | 10794681 |
| Corticotropin-releasing factor receptor 2 | EC50 | = | 0.32 | nM | 9.49 | Activity of peptidic agonists on h-CRF2-alpha receptor using agonist-stimulated ... | 10794681 |
| Corticotropin-releasing factor receptor 2 | Ki | = | 3.6 | nM | 8.44 | Binding affinity of the receptor h-CRF2-alpha with peptidic agonists | 10794681 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 3.76 | nM | 8.43 | Binding affinity of the receptor corticotropin releasing factor receptor with pe... | 10794681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651165 | 10.1021/jm980164e | Rattus norvegicus | 2 |
| 10794681 | 10.1021/jm990590f | Corticotropin-releasing factor receptor 1 | 2 |
| 10794681 | 10.1021/jm990590f | Corticotropin-releasing factor receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine