Compound Detail
CHEMBL1431891
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Basic Information
| ChEMBL ID | CHEMBL1431891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEYHSXNQCGYETJ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.8
MW (Da)
3.74
ALogP
4
HBA
1
HBD
92.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.73
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | EC50 | 4.73 | 4.73 | 18569.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 4.69 | 4.69 | 20630.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 4.55 | 4.55 | 27871.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 4.55 | 4.55 | 27978.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | EC50 | = | 18569.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for agonists of NPY-Y2: cell-... | - |
| Melanocortin receptor 4 | IC50 | = | 20630.0 | nM | 4.69 | PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... | - |
| HEK293 | EC50 | = | 27978.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for potentiators or agonists ... | - |
| Neuropeptide Y receptor type 2 | EC50 | = | 27871.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high-throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine