Compound Detail
CHEMBL1393538
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Basic Information
| ChEMBL ID | CHEMBL1393538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFSCBEIKKIAHNC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.58
ALogP
5
HBA
1
HBD
57.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.19 | 5.19 | 6433.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | IC50 | = | 6433.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Neuropeptide Y receptor type 2 | IC50 | = | 13200.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
| Phospholipase A2 | IC50 | = | 17700.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Cysteine protease ATG4B | IC50 | = | 25300.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
Data from ChEMBL 36 via Core Engine