Compound Detail
CHEMBL82134
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL82134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYVFJKVYVDYPFV-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1179519 |
| Active Moiety | CHEMBL1179519 |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.6
MW (Da)
6.81
ALogP
3
HBA
0
HBD
7.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.02
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.02 | 5.2975 | 963.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.12 | 5.12 | 7540.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.98 | 4.98 | 10552.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 963.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| BJ | EC50 | = | 3215.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of His-tagged human recombinant 2N4R tau protein aggregation assessed... | 19432420 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 7540.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Unchecked | EC50 | = | 10552.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 11816.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 17833.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549435 | 10.1016/s0960-894x(01)00490-5 | DNA polymerase I, thermostable | 2 |
| 11549435 | 10.1016/s0960-894x(01)00490-5 | Telomerase reverse transcriptase | 1 |
| 19432420 | 10.1021/jm900116d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine