Compound Detail
CHEMBL4852799
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N=C(N)NCCC[C@@H]1NC(=O)CCC(=O)NCCCCNC(=O)NC(=N)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4852799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBAUBHSESZYDCK-WGXSSYHUSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1194.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.02
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 8.8 | 8.8 | 1.6 | 2 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 7.02 | 6.8825 | 95.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 | Ki | = | 1.585 | nM | 8.8 | Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... | 34748345 |
| Neuropeptide Y receptor type 4 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 95.5 | nM | 7.02 | Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB2 ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 130.0 | nM | 6.89 | Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 190.55 | nM | 6.72 | Agonist activity at human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cell... | 34748345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Neuropeptide Y receptor type 4 | 10 |
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Unchecked | 3 |
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Neuropeptide Y receptor type 1 | 2 |
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Neuropeptide Y receptor type 2 | 2 |
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Neuropeptide Y receptor type 5 | 2 |
Data from ChEMBL 36 via Core Engine