Compound Detail
CHEMBL5204006
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CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5204006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTYCHVAQTAKLIC-CWACUWPGSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1430.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 CHEMBL1293293 | EC50 | 8.29 | 7.965 | 5.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.08 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 | EC50 | = | 5.1 | nM | 8.29 | Agonist activity at human NPBWR1 expressed in CHO cells measured by LANCE Ultra ... | 35101647 |
| Neuropeptides B/W receptor type 1 | EC50 | = | 23.0 | nM | 7.64 | Agonist activity at human NPBWR1 expressed in CHO-RD-HGA16 cells measured by cal... | 35101647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35101647 | 10.1016/j.ejmech.2022.114149 | Neuropeptides B/W receptor type 1 | 4 |
| 35101647 | 10.1016/j.ejmech.2022.114149 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine