Compound Detail
CHEMBL1581332
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Basic Information
| ChEMBL ID | CHEMBL1581332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKLRXBQRVYIEFL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
1.70
ALogP
9
HBA
3
HBD
140.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.03 | 5.03 | 9321.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | EC50 | 4.93 | 4.93 | 11701.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 4.86 | 4.86 | 13745.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 9321.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for potentiators or agonists ... | - |
| Neuropeptide Y receptor type 1 | EC50 | = | 11701.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for agonists of NPY-Y2: cell-... | - |
| Neuropeptide Y receptor type 2 | EC50 | = | 13745.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high-throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine