Compound Detail
CHEMBL5177589
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CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5177589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGXJSHGTLSAEAI-CFHSFYIRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1983.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 CHEMBL1293293 | IC50 | 6.39 | 6.39 | 406.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 | IC50 | = | 406.0 | nM | 6.39 | Antagonist activity at human NPBWR1 expressed in CHO-RD-HGA16 cells measured by ... | 35101647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35101647 | 10.1016/j.ejmech.2022.114149 | Neuropeptides B/W receptor type 1 | 3 |
Data from ChEMBL 36 via Core Engine