Compound Detail
CHEMBL4281010
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](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](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4281010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROSXYSDJZUJAFR-QCETVNLESA-N |
4
Targets
12
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
2250.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.7
EC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | Ki | 8.7 | 8.7 | 2.0 | 2 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 8.1 | 8.1 | 7.9 | 2 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 7.6 | 7.6 | 25.0 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | EC50 | 6.3 | 6.3 | 500.0 | 2 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 6.3 | 6.3 | 500.0 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 6.2 | 6.2 | 630.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 1 | 4 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 2 | 4 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 4 | 4 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Neuropeptide Y receptor type 5 | 4 |
| 30399314 | 10.1021/acs.jmedchem.8b01046 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine