Compound Detail
CHEMBL1347385
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Basic Information
| ChEMBL ID | CHEMBL1347385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEPJKFDAQFVSJZ-HMMYKYKNSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
5.05
ALogP
4
HBA
1
HBD
62.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.26
EC50 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.26 | 5.26 | 5548.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.15 | 5.15 | 7120.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.09 | 5.09 | 8080.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.07 | 5.07 | 8560.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.04 | 4.04 | 92230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 5548.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 7120.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Phospholipase A2 | IC50 | = | 8080.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Cysteine protease ATG4B | IC50 | = | 8560.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 92230.0 | nM | 4.04 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
Data from ChEMBL 36 via Core Engine