Compound Detail
CHEMBL2016682
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CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12
Basic Information
| ChEMBL ID | CHEMBL2016682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWQZNMAMLPBAAS-GUJKFWMDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.88
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 0.8 | nM | 9.1 | Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in ins... | 22445286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22445286 | 10.1016/j.bmcl.2012.02.098 | Liver microsomes | 2 |
| 22445286 | 10.1016/j.bmcl.2012.02.098 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine