Compound Detail
CHEMBL420318
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CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL420318 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MNRITTZGGLPDBP-POFDKVPJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
934.1
MW (Da)
-2.67
ALogP
11
HBA
11
HBD
385.5
PSA (Ų)
0.02
QED
3
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 CHEMBL3425 | Ki | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 | Ki | = | 0.2 | nM | 9.7 | Binding affinity for NPPF receptor in rat spinal cord membranes using the radiol... | 7932576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932576 | 10.1021/jm00047a005 | Neuropeptide FF receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine