Compound Detail
CHEMBL3787712
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CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3787712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIPARCYTBXBSLE-WVRXEKPCSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1790.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.92
EC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 8.77 | 8.48 | 1.7 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | Ki | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27223253 | 10.1021/acs.jmedchem.6b00309 | Neuropeptide Y receptor type 4 | 5 |
| 27223253 | 10.1021/acs.jmedchem.6b00309 | Neuropeptide Y receptor type 1 | 2 |
| 27223253 | 10.1021/acs.jmedchem.6b00309 | Neuropeptide Y receptor type 2 | 1 |
| 27223253 | 10.1021/acs.jmedchem.6b00309 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine