Compound Detail
CHEMBL4090092
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CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NC(C)(C)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](CC1CCCCC1)C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4090092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSMZDSUDKUSJQR-OIJLSCDASA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1851.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.17
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 10.17 | 10.17 | 0.1 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | EC50 | = | 0.068 | nM | 10.17 | Agonist activity at human Y2 receptor expressed in CHO cell membranes after 120 ... | 28684122 |
| Neuropeptide Y receptor type 2 | IC50 | = | 1.2 | nM | 8.92 | Displacement of [125I]peptide YY from human Y2 receptor expressed in CHO cell me... | 28684122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28684122 | 10.1016/j.bmcl.2017.06.055 | Mus musculus | 4 |
| 28684122 | 10.1016/j.bmcl.2017.06.055 | Neuropeptide Y receptor type 2 | 2 |
Data from ChEMBL 36 via Core Engine