Compound Detail
CHEMBL526149
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CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)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](CCC(=O)O)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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)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](CCC(=O)O)C(=O)N[C@@H](C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL526149 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PNGVJHODDQMQKT-GVKLFNHCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
3826.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 8.91 | 7.745 | 1.2 | 2 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 1.24 | nM | 8.91 | Displacement of [125I]Tyr0-ovine CRF from CRF1 receptor in rat cortical membrane... | 19361210 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 2.0 | nM | 8.7 | Displacement of [125I]Tyr0-ovine CRF from CRF1 receptor in human IMR32 cells | 19361209 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 2.0 | nM | 8.7 | Binding affinity to CRF1 receptor in human IMR32 cells | 19361210 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 264.0 | nM | 6.58 | Antagonist activity at CRF1 receptor in rat brain homogenates assessed as inhibi... | 19361210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19361210 | 10.1021/jm9000242 | Corticotropin-releasing factor receptor 1 | 3 |
| 19361209 | 10.1021/jm900025h | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine