Compound Detail
CHEMBL263451
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CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)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](Cc2c[nH]cn2)NC(=O)[C@@H](N)Cc2ccccc2)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N1)[C@@H](C)CC)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL263451 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CDGCKHKGLDFXTA-XCXUVPFSSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
3563.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | inhibitory concentration used to block secretion of adenocorticotropic hormone(A... | 10794681 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 2.0 | nM | 8.7 | Binding affinity of the receptor corticotropin releasing factor receptor with pe... | 10794681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794681 | 10.1021/jm990590f | Corticotropin-releasing factor receptor 1 | 1 |
| 10794681 | 10.1021/jm990590f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine