Compound Detail
CHEMBL1257065
STILONIUM IODIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1257065 |
| Name | STILONIUM IODIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RDTKUZXIHMTSJO-UEIGIMKUSA-M |
| Parent Compound | CHEMBL191491 |
| Active Moiety | CHEMBL191491 |
12
Targets
31
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
Molecular Properties
324.5
MW (Da)
5.11
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 24 meas. best 8.7
Ki 7 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 8.7 | 6.972 | 2.0 | 5 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Neuronal acetylcholine receptor; alpha9/alpha10 CHEMBL2109238 | IC50 | 8.18 | 8.06 | 6.7 | 3 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 6.98 | 6.98 | 104.0 | 3 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL5169123 | IC50 | 6.96 | 6.96 | 109.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.4 | 6.0714 | 398.1 | 7 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 6.36 | 6.36 | 433.0 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.63 | 5.63 | 2330.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.59 | 5.59 | 2570.0 | 1 |
| U-87 MG CHEMBL614247 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 4.69 | 4.69 | 20224.0 | 1 |
| Astrocyte CHEMBL5314311 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30403486 | 10.1021/acs.jmedchem.8b01052 | ADMET | 11 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 10 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 7 |
| 36526469 | 10.1021/acs.jmedchem.2c01256 | Neuronal acetylcholine receptor subunit alpha-7 | 6 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 6 |
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| 30403486 | 10.1021/acs.jmedchem.8b01052 | U-87 MG | 4 |
| 35834819 | 10.1021/acs.jmedchem.2c00746 | Neuronal acetylcholine receptor subunit alpha-7 | 4 |
| 30403486 | 10.1021/acs.jmedchem.8b01052 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 36526469 | 10.1021/acs.jmedchem.2c01256 | Neuronal acetylcholine receptor; alpha9/alpha10 | 2 |
| 35834819 | 10.1021/acs.jmedchem.2c00746 | Neuronal acetylcholine receptor; alpha9/alpha10 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 35834819 | 10.1021/acs.jmedchem.2c00746 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 30403486 | 10.1021/acs.jmedchem.8b01052 | Astrocyte | 1 |
| 30403486 | 10.1021/acs.jmedchem.8b01052 | SH-SY5Y | 1 |
| 30403486 | 10.1021/acs.jmedchem.8b01052 | A549 | 1 |
| 30403486 | 10.1021/acs.jmedchem.8b01052 | Neuronal acetylcholine receptor; alpha9/alpha10 | 1 |
Data from ChEMBL 36 via Core Engine