Compound Detail
CHEMBL3604928
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Basic Information
| ChEMBL ID | CHEMBL3604928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYXIFIORIDAIKZ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
2.70
ALogP
9
HBA
2
HBD
125.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.65 | 130.0 | 2 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 6.84 | 6.84 | 146.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.05 | 5.9 | 900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 0.06 | nM | 10.22 | Inhibition of TBK1 (unknown origin) using biotinylated peptide as substrate prei... | 32206239 |
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibition of rapamycin induced autophagy in human MCF7 cells expressing eGFP-LC... | 36283182 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | IC50 | = | 146.0 | nM | 6.84 | Inhibition of VPS34 (unknown origin) | 36283182 |
| Unchecked | IC50 | = | 390.0 | nM | 6.41 | Inhibition of starvation induced autophagy in human MCF7 cells expressing eGFP-L... | 36283182 |
| Epidermal growth factor receptor | IC50 | = | 900.0 | nM | 6.05 | Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in Sf9 cells pr... | 26275028 |
| Epidermal growth factor receptor | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of EGFR L858R mutant (unknown origin) expressed in Sf9 cells pre-incu... | 26275028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26275028 | 10.1021/acs.jmedchem.5b01082 | Epidermal growth factor receptor | 3 |
| 36283182 | 10.1016/j.ejmech.2022.114846 | Unchecked | 2 |
| 32206239 | 10.1039/C8MD00555A | Serine/threonine-protein kinase TBK1 | 1 |
| 36283182 | 10.1016/j.ejmech.2022.114846 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
Data from ChEMBL 36 via Core Engine