Compound Detail
CHEMBL345581
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c1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL345581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGXFIXUHAAJWGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
594.8
MW (Da)
7.61
ALogP
6
HBA
0
HBD
42.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 9.72 | 9.72 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | Ki | = | 0.191 | nM | 9.72 | Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y rec... | 10201822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10201822 | 10.1016/s0960-894x(99)00082-7 | Neuropeptide Y receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine