Compound Detail
CHEMBL1802414
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CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL1802414 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GZORTMDPMZLEID-JHPUGHCGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
2820.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.31
Ki 1 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyroglutamylated RF-amide peptide receptor CHEMBL5852 | Ki | 8.69 | 8.69 | 2.0 | 1 |
| Pyroglutamylated RF-amide peptide receptor CHEMBL5852 | EC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyroglutamylated RF-amide peptide receptor | Ki | = | 2.04 | nM | 8.69 | Displacement of [125I]-43RFa from human QRFP receptor expressed in CHO cells by ... | 34008968 |
| Pyroglutamylated RF-amide peptide receptor | EC50 | = | 4.9 | nM | 8.31 | Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 c... | 21623631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Unchecked | 2 |
| 21623631 | 10.1021/jm200418c | Pyroglutamylated RF-amide peptide receptor | 1 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Prolactin-releasing peptide | 1 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | KiSS-1 receptor | 1 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Pyroglutamylated RF-amide peptide receptor | 1 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Delta-type opioid receptor | 1 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Nociceptin receptor | 1 |
Data from ChEMBL 36 via Core Engine