Compound Detail
CHEMBL1471189
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Basic Information
| ChEMBL ID | CHEMBL1471189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPCKZQXZZUBGAD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1621344 |
| Active Moiety | CHEMBL1621344 |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.33
ALogP
6
HBA
0
HBD
64.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.0
IC50 3 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 6.0 | 6.0 | 1003.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.65 | 5.39 | 2231.0 | 2 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.03 | 4.905 | 9240.0 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.01 | 5.01 | 9730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 1003.0 | nM | 6.0 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Unchecked | EC50 | = | 2231.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 7470.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Kappa-type opioid receptor | IC50 | = | 9240.0 | nM | 5.03 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 9730.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Kappa-type opioid receptor | IC50 | = | 16493.0 | nM | 4.78 | PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Antagonists of the KOR Re... | - |
Data from ChEMBL 36 via Core Engine