Compound Detail
CHEMBL3701197
A-226 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL3701197 |
| Name | A-226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRHHATMLNUQQTB-MZRBSKCNSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
1
Known Names
Molecular Properties
221.3
MW (Da)
3.78
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.3 | 6.2867 | 501.2 | 3 |
| Unchecked CHEMBL612545 | Ki | 5.44 | 5.435 | 3630.8 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | Ki | 5.43 | 5.43 | 3690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 501.19 | nM | 6.3 | GPCRScan assay: inhibition of Sigma 1 | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 528.76 | nM | 6.28 | GPCRScan assay: inhibition of Sigma 1 | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 528.76 | nM | 6.28 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000547a SIGMAR1 | - |
| Unchecked | Ki | = | 3630.78 | nM | 5.44 | GPCRScan assay: inhibition of GABA/PBR | - |
| Unchecked | Ki | = | 3690.01 | nM | 5.43 | GPCRScan assay: inhibition of GABA/PBR | - |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Ki | = | 3690.01 | nM | 5.43 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000547a GABRA1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507256 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507256 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL4507256 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4689842 | U2OS | 10 |
| - | 10.6019/CHEMBL4507256 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507256 | Unchecked | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4507256 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 9 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507256 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507256 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507256 | Sigma non-opioid intracellular receptor 1 | 3 |
| - | 10.6019/CHEMBL4507256 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507256 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL4507256 | Ribosomal protein S6 kinase alpha-1 | 2 |
| - | 10.6019/CHEMBL4507256 | Ribosomal protein S6 kinase alpha-5 | 2 |
Data from ChEMBL 36 via Core Engine