Compound Detail
CHEMBL42747
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N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1
Basic Information
| ChEMBL ID | CHEMBL42747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APXQNCYYJXLPGT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
3.25
ALogP
4
HBA
5
HBD
131.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 6.55 | 6.36 | 280.0 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | IC50 | = | 280.0 | nM | 6.55 | NPY Y1-antagonistic activity in HEL cells by measuring the inhibition of porcine... | 10915060 |
| Neuropeptide Y receptor type 1 | IC50 | = | 670.0 | nM | 6.17 | Inhibition of binding of [3H]propionyl-NPY (1 nM) to Neuropeptide Y receptor typ... | 10915060 |
| Neuropeptide Y receptor type 5 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of binding of [3H]propionyl-NPY (1 nM) to Neuropeptide Y receptor typ... | 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