Compound Detail
CHEMBL116185
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NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)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 | CHEMBL116185 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NIPZTEUMXAUJAG-YFNVTMOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
673.8
MW (Da)
-3.93
ALogP
9
HBA
9
HBD
327.3
PSA (Ų)
0.04
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 CHEMBL3425 | Ki | 7.68 | 7.68 | 20.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 | Ki | = | 20.9 | nM | 7.68 | 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 |
| 7932576 | 10.1021/jm00047a005 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine