Compound Detail
CHEMBL3194054
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COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL3194054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XILHLSHWUOAQEQ-MTDXEUNCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
3.05
ALogP
7
HBA
2
HBD
126.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 4.98 | 4.98 | 10390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | IC50 | = | 3550.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 10390.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
Data from ChEMBL 36 via Core Engine