Compound Detail
CHEMBL5400627
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CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCNC(=O)CC[C@H](N)C(=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.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5400627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGVRMPOEWONZOW-CSJZEXOISA-N |
| Parent Compound | CHEMBL5498569 |
| Active Moiety | CHEMBL5498569 |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1122.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.0
Ki 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 9.8 | 9.785 | 0.2 | 2 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 8.0 | 7.605 | 10.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 | Ki | = | 0.1585 | nM | 9.8 | Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... | 37773891 |
| Neuropeptide Y receptor type 4 | Ki | = | 0.17 | nM | 9.77 | Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... | 37773891 |
| Neuropeptide Y receptor type 4 | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay | 37773891 |
| Neuropeptide Y receptor type 4 | EC50 | = | 10.47 | nM | 7.98 | Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay | 37773891 |
| Neuropeptide Y receptor type 4 | EC50 | = | 60.26 | nM | 7.22 | Agonist activity at human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ by... | 37773891 |
| Neuropeptide Y receptor type 4 | EC50 | = | 60.0 | nM | 7.22 | Agonist activity at human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ by... | 37773891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37773891 | 10.1021/acs.jmedchem.3c01224 | Neuropeptide Y receptor type 4 | 8 |
| 37773891 | 10.1021/acs.jmedchem.3c01224 | Neuropeptide Y receptor type 1 | 2 |
| 37773891 | 10.1021/acs.jmedchem.3c01224 | Neuropeptide Y receptor type 2 | 2 |
| 37773891 | 10.1021/acs.jmedchem.3c01224 | Neuropeptide Y receptor type 5 | 2 |
Data from ChEMBL 36 via Core Engine