Compound Detail
CHEMBL438945
HUMAN NEUROPEPTIDE Y Phase I
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Phase I
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)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@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL438945 |
| Name | HUMAN NEUROPEPTIDE Y |
| Phase | Phase I |
| Structure Type | BOTH |
| InChI Key | XKWCTHKJQNUFOQ-HRPSIEBRSA-N |
5
Targets
21
Activities
3
Assay Types
3
PK Parameters
20
Publications
1
Known Names
1
Indications
Molecular Properties
4271.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Chirality | Single Enantiomer |
Indications
Stress Disorders, Post-Traumatic
Activity Summary
IC50 13 meas. best 10.55
Ki 7 meas. best 10.12
EC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 10.55 | 9.905 | 0.0 | 4 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 10.15 | 9.475 | 0.1 | 6 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | Ki | 10.12 | 9.61 | 0.1 | 2 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 10.02 | 9.6667 | 0.1 | 3 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.39 | 7.875 | 4.1 | 2 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 6.55 | 6.55 | 282.0 | 1 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 6.38 | 6.38 | 417.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3 | hr | Homo sapiens |
| T1/2 | 4.8 | hr | Homo sapiens |
| T1/2 | 0.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2342055 | 10.1021/jm00168a014 | Rattus norvegicus | 4 |
| 23403082 | 10.1016/j.bmcl.2013.01.025 | Neuropeptide Y receptor type 1 | 3 |
| 24090364 | 10.1021/jm4008505 | Neuropeptide Y receptor type 4 | 3 |
| 24044354 | 10.1021/jm400423p | Xaa-Pro aminopeptidase 2 | 2 |
| 23466604 | 10.1016/j.ejmech.2013.01.044 | Neuropeptide Y receptor type 2 | 2 |
| 23466604 | 10.1016/j.ejmech.2013.01.044 | Neuropeptide Y receptor type 1 | 2 |
| 27876250 | 10.1016/j.bmc.2016.11.014 | Neuropeptide Y receptor type 2 | 1 |
| 24044354 | 10.1021/jm400423p | Neuropeptide Y receptor type 1 | 1 |
| 24044354 | 10.1021/jm400423p | Prolyl endopeptidase FAP | 1 |
| 24044354 | 10.1021/jm400423p | Dipeptidyl peptidase 8 | 1 |
| 24044354 | 10.1021/jm400423p | Neuropeptide Y receptor type 2 | 1 |
| 24090364 | 10.1021/jm4008505 | Neuropeptide Y receptor type 1 | 1 |
| 24090364 | 10.1021/jm4008505 | Neuropeptide Y receptor type 2 | 1 |
| 24090364 | 10.1021/jm4008505 | Neuropeptide Y receptor type 5 | 1 |
| 23582449 | 10.1016/j.bmc.2013.03.016 | Neuropeptide Y receptor type 1 | 1 |
| 23582449 | 10.1016/j.bmc.2013.03.016 | Neuropeptide Y receptor type 2 | 1 |
| 23265893 | 10.1016/j.bmcl.2012.11.110 | Neuropeptide Y receptor type 1 | 1 |
| 19916528 | 10.1021/np900287e | Neuropeptide Y receptor type 1 | 1 |
| - | 10.1016/S0960-894X(00)80696-4 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80696-4 | Neuropeptide Y receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine