Compound Detail
CHEMBL1544847
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Basic Information
| ChEMBL ID | CHEMBL1544847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZOACPDZZYNJER-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
311.8
MW (Da)
4.76
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 4.82 | 4.82 | 15056.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | EC50 | 4.77 | 4.77 | 17105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | EC50 | = | 15056.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high-throughput dose response as... | - |
| Neuropeptide Y receptor type 1 | EC50 | = | 17105.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for agonists of NPY-Y2: cell-... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine