Compound Detail
CHEMBL2373995
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)N[C@@H](CC(=O)O)C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2373995 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YIHRBRJTFIGRRV-FJGLSHCJSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
4869.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.82
Ki 2 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.97 | 8.97 | 1.1 | 1 |
| Corticotropin-releasing factor receptor 2 CHEMBL4069 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Corticotropin-releasing factor receptor 2 CHEMBL4069 | EC50 | 8.82 | 8.82 | 1.5 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 1.07 | nM | 8.97 | Binding affinity of the receptor corticotropin releasing factor receptor with pe... | 10794681 |
| Corticotropin-releasing factor receptor 2 | Ki | = | 1.26 | nM | 8.9 | Binding affinity of the receptor h-CRF2-alpha with peptidic agonists | 10794681 |
| Corticotropin-releasing factor receptor 2 | EC50 | = | 1.5 | nM | 8.82 | Activity of peptidic agonists on h-CRF2-alpha receptor using agonist-stimulated ... | 10794681 |
| Corticotropin-releasing factor receptor 1 | EC50 | = | 6.3 | nM | 8.2 | Activity of peptidic agonists on corticotropin releasing factor receptor using a... | 10794681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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