Compound Detail
CHEMBL1428840
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Basic Information
| ChEMBL ID | CHEMBL1428840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFKWGNHOYQRRKI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.82
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.12 | 5.435 | 761.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.8 | 5.8 | 1596.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 760.98 | nM | 6.12 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Unchecked | EC50 | = | 1596.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| G-protein coupled receptor 35 | IC50 | = | 17660.0 | nM | 4.75 | PUBCHEM_BIOASSAY: SAR Analysis for the identification of Selective Antagonists o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine