Compound Detail
CHEMBL439904
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
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[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL439904 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AUHJXHCVECGTKR-DQNUUZSMSA-N |
4
Targets
23
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
4049.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 17 meas. best 9.7
IC50 3 meas. best 9.24
Ki 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 9.7 | 9.255 | 0.2 | 8 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 9.24 | 8.76 | 0.6 | 3 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | EC50 | 8.25 | 7.0867 | 5.6 | 3 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | EC50 | 8.09 | 7.3367 | 8.2 | 3 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 6.85 | 6.1 | 141.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28917449 | 10.1016/j.bmc.2017.08.044 | Mus musculus | 10 |
| 28684122 | 10.1016/j.bmcl.2017.06.055 | Mus musculus | 9 |
| 32844654 | 10.1021/acs.jmedchem.0c00740 | Neuropeptide Y receptor type 2 | 4 |
| 33449689 | 10.1021/acs.jmedchem.0c01783 | Unchecked | 2 |
| 28684122 | 10.1016/j.bmcl.2017.06.055 | Neuropeptide Y receptor type 2 | 2 |
| 28917449 | 10.1016/j.bmc.2017.08.044 | Neuropeptide Y receptor type 2 | 2 |
| 17055726 | 10.1016/j.bmcl.2006.10.007 | Neuropeptide Y receptor type 2 | 2 |
| 28917449 | 10.1016/j.bmc.2017.08.044 | Homo sapiens | 1 |
| 36571995 | 10.1016/j.ejmech.2022.115036 | Neuropeptide Y receptor type 5 | 1 |
| 33449689 | 10.1021/acs.jmedchem.0c01783 | Neuropeptide Y receptor type 1 | 1 |
| 33449689 | 10.1021/acs.jmedchem.0c01783 | Neuropeptide Y receptor type 2 | 1 |
| 33449689 | 10.1021/acs.jmedchem.0c01783 | Glucagon-like peptide 1 receptor | 1 |
| 32844654 | 10.1021/acs.jmedchem.0c00740 | Neuropeptide Y receptor type 1 | 1 |
| 32844654 | 10.1021/acs.jmedchem.0c00740 | Neuropeptide Y receptor type 4 | 1 |
| 32844654 | 10.1021/acs.jmedchem.0c00740 | Neuropeptide Y receptor type 5 | 1 |
| 24900634 | 10.1021/ml400335g | Neuropeptide Y receptor type 1 | 1 |
| 24900634 | 10.1021/ml400335g | Neuropeptide Y receptor type 2 | 1 |
| 24900634 | 10.1021/ml400335g | Neuropeptide Y receptor type 4 | 1 |
| 24900634 | 10.1021/ml400335g | Neuropeptide Y receptor type 5 | 1 |
| 17055726 | 10.1016/j.bmcl.2006.10.007 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine