Compound Detail
CHEMBL4276961
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CC[C@H](C)[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(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](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](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4276961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIDIBSNLMUVHEC-YOGANYHLSA-N |
7
Targets
18
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
4182.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 10 meas. best 10.0
Ki 8 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 11.0 | 11.0 | 0.0 | 2 |
| Neuropeptide Y receptor type 4 CHEMBL4105736 | EC50 | 10.0 | 10.0 | 0.1 | 2 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 9.7 | 9.7 | 0.2 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL3802 | EC50 | 8.6 | 8.6 | 2.5 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | EC50 | 8.3 | 8.3 | 5.0 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 8.0 | 8.0 | 10.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 8.0 | 8.0 | 10.0 | 2 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 7.3 | 7.3 | 50.0 | 2 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | Ki | 5.3 | 5.3 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Unchecked | 7 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 4 | 6 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 5 | 6 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 1 | 4 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 2 | 4 |
Data from ChEMBL 36 via Core Engine