Compound Detail
CHEMBL411590
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CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=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)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL411590 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AXLZBIVDKUWDCD-XQWFNMSYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
4751.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2 CHEMBL2253 | EC50 | 8.48 | 8.48 | 3.3 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL2446 | EC50 | 7.2 | 7.2 | 63.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2 | EC50 | = | 3.3 | nM | 8.48 | In vitro effective concentration for mouse corticotropin releasing factor 2 rece... | 15634020 |
| Corticotropin-releasing factor receptor 1 | EC50 | = | 63.4 | nM | 7.2 | In vitro effective concentration for mouse corticotropin releasing factor 1 rece... | 15634020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634020 | 10.1021/jm049490m | Mus musculus | 3 |
| 15634020 | 10.1021/jm049490m | Corticotropin-releasing factor receptor 2 | 2 |
| 15634020 | 10.1021/jm049490m | Corticotropin-releasing factor receptor 1 | 2 |
| 15634020 | 10.1021/jm049490m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine