Compound Detail
CHEMBL1344739
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Basic Information
| ChEMBL ID | CHEMBL1344739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAHNOMZYNFFBHE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.56
ALogP
8
HBA
1
HBD
91.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.42 | 5.42 | 3792.0 | 1 |
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 5.41 | 5.41 | 3907.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.13 | 5.13 | 7425.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 3792.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Counterscreen for NR2E3 inverse agonists: TR-FRET-based bioche... | - |
| Photoreceptor-specific nuclear receptor | IC50 | = | 3907.0 | nM | 5.41 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 7425.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Hexokinase HKDC1 | IC50 | = | 10400.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine