Compound Detail
CHEMBL4280898
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CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4280898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDTCMFBCOBFOGW-IIQVFVSRSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
4050.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 6.2 | 6.2 | 630.0 | 2 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | Ki | 5.9 | 5.895 | 1258.9 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 5.9 | 5.895 | 1258.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 | Ki | = | 630.0 | nM | 6.2 | Displacement of [125I]-PP from human Y4R expressed in CHO-K1 cell membranes afte... | 30399314 |
| Neuropeptide Y receptor type 4 | Ki | = | 630.96 | nM | 6.2 | Displacement of [125I]-PP from human Y4R expressed in CHO-K1 cell membranes afte... | 30399314 |
| Neuropeptide Y receptor type 2 | Ki | = | 1258.93 | nM | 5.9 | Displacement of [125I]-PYY(1 to 36 residues) from human Y2R expressed in CHO cel... | 30399314 |
| Neuropeptide Y receptor type 5 | Ki | = | 1258.93 | nM | 5.9 | Displacement of [125I]-PYY(1 to 36 residues) from human Y5R expressed in HEK293 ... | 30399314 |
| Neuropeptide Y receptor type 2 | Ki | = | 1300.0 | nM | 5.89 | Displacement of [125I]-PYY(1 to 36 residues) from human Y2R expressed in CHO cel... | 30399314 |
| Neuropeptide Y receptor type 5 | Ki | = | 1300.0 | nM | 5.89 | Displacement of [125I]-PYY(1 to 36 residues) from human Y5R expressed in HEK293 ... | 30399314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Unchecked | 3 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 1 | 2 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 2 | 2 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 4 | 2 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 5 | 2 |
Data from ChEMBL 36 via Core Engine