Compound Detail
CHEMBL3774713
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CCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=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)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(N)=O)[C@@H](C)CC)NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(C)C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3774713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPBVHNIZTJGADU-CJEDDQEXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3994.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 9.09 | 8.875 | 0.8 | 2 |
| Corticotropin-releasing factor receptor 2 CHEMBL2253 | Ki | 8.67 | 8.67 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 0.81 | nM | 9.09 | Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6... | 26789203 |
| Corticotropin-releasing factor receptor 2 | Ki | = | 2.16 | nM | 8.67 | Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in C... | 26789203 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 2.17 | nM | 8.66 | Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells... | 26789203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26789203 | 10.1021/acs.jmedchem.5b00926 | No relevant target | 6 |
| 26789203 | 10.1021/acs.jmedchem.5b00926 | Corticotropin-releasing factor receptor 1 | 2 |
| 26789203 | 10.1021/acs.jmedchem.5b00926 | Corticotropin-releasing factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine