Compound Detail
CHEMBL1462074
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Basic Information
| ChEMBL ID | CHEMBL1462074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAHMLRJDORGFNT-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
222.7
MW (Da)
3.15
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.53
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.53 | 6.26 | 296.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 6.12 | 5.42 | 762.0 | 2 |
| Serum paraoxonase/arylesterase 1 CHEMBL3167 | IC50 | 4.5 | 4.5 | 31410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 296.0 | nM | 6.53 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| BJ | EC50 | = | 584.0 | nM | 6.23 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 676.0 | nM | 6.17 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 762.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 784.0 | nM | 6.11 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 19100.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Serum paraoxonase/arylesterase 1 | IC50 | = | 31410.0 | nM | 4.5 | Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric... | 26879855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26879855 | 10.1016/j.bmc.2016.02.012 | Serum paraoxonase/arylesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine