Compound Detail
CHEMBL102726
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Basic Information
| ChEMBL ID | CHEMBL102726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVWANTDQRFSCAL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
3.24
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Galanin receptor type 3 CHEMBL2731 | IC50 | 5.62 | 5.62 | 2419.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.38 | 4180.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 4.99 | 4.99 | 10320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 320.0 | nM | 6.5 | Inhibition of Epidermal growth factor receptor from A431 cells | 7658435 |
| Galanin receptor type 3 | IC50 | = | 2419.0 | nM | 5.62 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Unchecked | IC50 | = | 4180.0 | nM | 5.38 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| COUP transcription factor 2 | IC50 | = | 10320.0 | nM | 4.99 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 7658435 | 10.1021/jm00018a008 | Epidermal growth factor receptor | 1 |
| 11520212 | 10.1021/jm010888h | Homo sapiens | 1 |
| 11520212 | 10.1021/jm010888h | B-cell | 1 |
| 34596404 | 10.1021/acs.jmedchem.1c01087 | Ribosomal protein S6 kinase beta-1 | 1 |
Data from ChEMBL 36 via Core Engine