Compound Detail
CHEMBL2370931
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CCCC[C@H](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](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)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(C)C)C(=O)NC1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)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](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2370931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBBPLUNKEXJZQZ-VQJIVBRISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
3636.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2 CHEMBL4069 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2 | IC50 | = | 5.5 | nM | 8.26 | Inhibition of recombinant human corticotropin releasing factor receptor 2 beta (... | 12361401 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of recombinant corticotropin releasing factor receptor 1 assayed usin... | 12361401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361401 | 10.1021/jm0202122 | Corticotropin-releasing factor receptor 1 | 1 |
| 12361401 | 10.1021/jm0202122 | Corticotropin-releasing factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine