Compound Detail
CHEMBL155802
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c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CCCN3CCCCC3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL155802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMKHAPGKVHDDCW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
615.9
MW (Da)
7.24
ALogP
7
HBA
0
HBD
46.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 9.97 | 9.97 | 0.1 | 1 |
| SK-N-MC CHEMBL614163 | Ki | 9.25 | 9.25 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | Ki | = | 0.106 | nM | 9.97 | Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y rec... | 10201822 |
| SK-N-MC | Ki | = | 0.564 | nM | 9.25 | Ability to antagonize 1 nM NPY''s inhibition of forskolin-stimulated cyclic AMP ... | 10201822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10201822 | 10.1016/s0960-894x(99)00082-7 | Neuropeptide Y receptor type 1 | 1 |
| 10201822 | 10.1016/s0960-894x(99)00082-7 | SK-N-MC | 1 |
Data from ChEMBL 36 via Core Engine