Compound Detail
CHEMBL42686
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N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL42686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VREKBHVPVINEDT-SYIFMXBLSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
1.91
ALogP
4
HBA
6
HBD
163.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.62 | 5.48 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of binding of [3H]propionyl-NPY (1 nM) to Neuropeptide Y receptor typ... | 10915060 |
| Neuropeptide Y receptor type 1 | IC50 | = | 4600.0 | nM | 5.34 | NPY Y1-antagonistic activity in HEL cells by measuring the inhibition of porcine... | 10915060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10915060 | 10.1016/s0960-894x(00)00292-4 | Neuropeptide Y receptor type 1 | 2 |
| 10915060 | 10.1016/s0960-894x(00)00292-4 | Neuropeptide Y receptor type 2 | 1 |
| 10915060 | 10.1016/s0960-894x(00)00292-4 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine