Compound Detail
CHEMBL1672379
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CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1672379 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NHCZEDDUCRWXKT-CJKZIAQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
889.0
MW (Da)
-3.85
ALogP
12
HBA
13
HBD
383.4
PSA (Ų)
0.02
QED
3
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 CHEMBL5952 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Neuropeptide FF receptor 1 CHEMBL5951 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 | IC50 | = | 0.79 | nM | 9.1 | Displacement of (D-[125I]Tyr1, MePhe3)-NPFF from NPFFR2 after 2 hrs | 24900254 |
| Neuropeptide FF receptor 1 | IC50 | = | 1.9 | nM | 8.72 | Displacement of (D-[125I]Tyr1, MePhe3)-NPFF from NPFFR1 after 2 hrs | 24900254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900254 | 10.1021/ml1002053 | KiSS-1 receptor | 1 |
| 24900254 | 10.1021/ml1002053 | Neuropeptide FF receptor 1 | 1 |
| 24900254 | 10.1021/ml1002053 | Neuropeptide FF receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine