Compound Detail
CHEMBL4299340
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CCCCC(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCNC(=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(C)(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](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(CCCC)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](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N1)C(=O)N[C@H](CCC(=O)O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C(N)=O)[C@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL4299340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEMKUVFAXTWVCI-WPCSVCGESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
3896.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2 CHEMBL2253 | Ki | 9.77 | 9.37 | 0.2 | 2 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 9.46 | 9.28 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2 | Ki | = | 0.17 | nM | 9.77 | Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in C... | 26789203 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 0.35 | nM | 9.46 | Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells... | 26789203 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 0.79 | nM | 9.1 | Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6... | 26789203 |
| Corticotropin-releasing factor receptor 2 | Ki | = | 1.07 | nM | 8.97 | Displacement of [125ITyr0-Glu1]-PD-Svg in mouse CRF-R2 beta expressed in COS-M6 ... | 26789203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26789203 | 10.1021/acs.jmedchem.5b00926 | Corticotropin-releasing factor receptor 2 | 2 |
| 26789203 | 10.1021/acs.jmedchem.5b00926 | Corticotropin-releasing factor receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine