Compound Detail
CHEMBL4784123
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Basic Information
| ChEMBL ID | CHEMBL4784123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBDICMYLSPJKNO-GAYQJXMFSA-N |
| Parent Compound | CHEMBL573297 |
| Active Moiety | CHEMBL573297 |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.0
MW (Da)
2.03
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.1
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 1 CHEMBL5951 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Neuropeptide FF receptor 2 CHEMBL5952 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Neuropeptide FF receptor 2 CHEMBL5952 | EC50 | 6.1 | 5.65 | 794.3 | 2 |
| Neuropeptide FF receptor 1 CHEMBL5951 | EC50 | 4.8 | 4.8 | 15848.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 1 | Ki | = | 100.0 | nM | 7.0 | Displacement of 125I-NPFF from human NPFFR1 incubated for 2 hrs by TopCount scin... | 32673481 |
| Neuropeptide FF receptor 2 | Ki | = | 125.89 | nM | 6.9 | Displacement of 125I-NPFF from human NPFFR2 incubated for 2 hrs by TopCount scin... | 32673481 |
| Neuropeptide FF receptor 2 | EC50 | = | 794.33 | nM | 6.1 | Agonist activity at NPFFR2 (unknown origin) expressed in mouse NIH3T3 cells by r... | 32673481 |
| Neuropeptide FF receptor 2 | EC50 | = | 6309.57 | nM | 5.2 | Agonist activity at NPFFR2 (unknown origin) expressed in HEK293T cells harboring... | 32673481 |
| Neuropeptide FF receptor 1 | EC50 | = | 15848.93 | nM | 4.8 | Agonist activity at NPFFR1 (unknown origin) expressed in HEK293T cells harboring... | 32673481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32673481 | 10.1021/acs.jmedchem.0c00643 | Neuropeptide FF receptor 2 | 5 |
| 32673481 | 10.1021/acs.jmedchem.0c00643 | Neuropeptide FF receptor 1 | 4 |
Data from ChEMBL 36 via Core Engine