Compound Detail
CHEMBL2440192
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CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL2440192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMGVRRIOIXRWBL-YOGANYHLSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
4153.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.28
EC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 9.28 | 9.28 | 0.5 | 1 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 | Ki | = | 0.53 | nM | 9.28 | Binding affinity to human Y4 receptor | 24090364 |
| Neuropeptide Y receptor type 4 | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at human Y4 receptor | 24090364 |
| Neuropeptide Y receptor type 5 | Ki | = | 17.0 | nM | 7.77 | Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells ... | 24090364 |
| Neuropeptide Y receptor type 1 | Ki | = | 440.0 | nM | 6.36 | Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 ... | 24090364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24090364 | 10.1021/jm4008505 | Neuropeptide Y receptor type 4 | 5 |
| 24090364 | 10.1021/jm4008505 | Neuropeptide Y receptor type 5 | 1 |
| 24090364 | 10.1021/jm4008505 | Neuropeptide Y receptor type 2 | 1 |
| 24090364 | 10.1021/jm4008505 | Neuropeptide Y receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine