Compound Detail
CHEMBL4857577
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)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4857577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSCDNOARRGBFSU-JPRYDEJLSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1107.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.46
Ki 2 meas. best 9.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 9.93 | 9.91 | 0.1 | 2 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 8.46 | 8.25 | 3.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 | Ki | = | 0.1175 | nM | 9.93 | Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... | 34748345 |
| Neuropeptide Y receptor type 4 | Ki | = | 0.13 | nM | 9.89 | Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 3.5 | nM | 8.46 | Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 3.548 | nM | 8.45 | Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 5.37 | nM | 8.27 | Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB2 ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 15.14 | nM | 7.82 | 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