Compound Detail
CHEMBL5091013
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Basic Information
| ChEMBL ID | CHEMBL5091013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCMPJODVRWZXLL-LJQANCHMSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
0.47
ALogP
4
HBA
6
HBD
163.2
PSA (Ų)
0.13
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.95
Kd 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 1 CHEMBL5951 | Ki | 7.95 | 7.95 | 11.2 | 1 |
| Neuropeptide FF receptor 1 CHEMBL5951 | Kd | 7.7 | 7.7 | 19.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Neuropeptide FF receptor 2 CHEMBL5952 | Ki | 5.77 | 5.77 | 1685.0 | 1 |
| Neuropeptide FF receptor 2 CHEMBL4523416 | Ki | 5.56 | 5.56 | 2750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 1 | Ki | = | 11.2 | nM | 7.95 | Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed ... | 34008968 |
| Neuropeptide FF receptor 1 | Kd | = | 19.95 | nM | 7.7 | Antagonist activity at human NPFF1 receptor expressed in HEK293 cells assessed a... | 34008968 |
| Unchecked | Ki | = | 45.0 | nM | 7.35 | Displacement of [125I]-1DMeNPFF from mouse NPFF1 receptor by TopCount scintillat... | 34008968 |
| Neuropeptide FF receptor 2 | Ki | = | 1685.0 | nM | 5.77 | Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed ... | 34008968 |
| Neuropeptide FF receptor 2 | Ki | = | 2750.0 | nM | 5.56 | Displacement of [125I]-1DMeNPFF from mouse NPFF2R receptor by TopCount scintilla... | 34008968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Unchecked | 5 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Neuropeptide FF receptor 1 | 4 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Neuropeptide FF receptor 2 | 2 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Prolactin-releasing peptide | 2 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | KiSS-1 receptor | 2 |
| 34008968 | 10.1021/acs.jmedchem.1c00256 | Pyroglutamylated RF-amide peptide receptor | 2 |
| 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