Compound Detail
CHEMBL1351761
DINALINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1351761 |
| Name | DINALINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGMGHALXLXKCBD-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
3
Known Names
Molecular Properties
227.3
MW (Da)
2.10
ALogP
3
HBA
3
HBD
81.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 3 meas. best 4.9
IC50 3 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 6.59 | 6.59 | 255.1 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315 | EC50 | 4.9 | 4.9 | 12600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 12853.6 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.73 | 4.73 | 18719.0 | 1 |
| Nuclear receptor subfamily 0 group B member 1 CHEMBL1795094 | IC50 | 4.7 | 4.7 | 19840.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.55 | 4.55 | 28200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 255.07 | nM | 6.59 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the orphan nuclear receptor su... | - |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 12600.0 | nM | 4.9 | Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase ... | 20966043 |
| Unchecked | IC50 | = | 12853.6 | nM | 4.89 | PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... | - |
| Unchecked | EC50 | = | 18719.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
| Nuclear receptor subfamily 0 group B member 1 | IC50 | = | 19840.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 28200.0 | nM | 4.55 | Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by l... | 20966043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20966043 | 10.1124/dmd.110.035105 | Nuclear receptor subfamily 1 group I member 2 | 6 |
Data from ChEMBL 36 via Core Engine