Compound Detail
CHEMBL347695
IMILOXAN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL347695 |
| Name | IMILOXAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UXABARREKCJULM-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
1
Known Names
Molecular Properties
244.3
MW (Da)
2.29
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 2 meas. best 6.18
Kd 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.98 | 6.98 | 104.7 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 6.18 | 6.18 | 655.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 4.85 | 4.85 | 14125.4 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.21 | 4.21 | 61650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 104.71 | nM | 6.98 | Alpha-2 adrenergic receptor pA2 value against clonidine in vitro experiment in r... | 6133953 |
| Alpha-2B adrenergic receptor | IC50 | = | 655.0 | nM | 6.18 | Antagonist activity at human recombinant adrenergic alpha2B receptor expressed i... | 36932954 |
| Adrenergic receptor alpha-1 | Kd | = | 14125.38 | nM | 4.85 | alpha-1 adrenergic receptor pA2 value against clonidine in vitro experiment in r... | 6133953 |
| Bile salt export pump | IC50 | = | 61650.0 | nM | 4.21 | Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21... | 22961681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6133953 | 10.1021/jm00360a008 | Adrenergic receptor alpha-2 | 3 |
| 6133953 | 10.1021/jm00360a008 | Adrenergic receptor alpha-1 | 3 |
| 36932954 | 10.1021/acs.jmedchem.2c01690 | Unchecked | 3 |
| 6133953 | 10.1021/jm00360a008 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36932954 | 10.1021/acs.jmedchem.2c01690 | Alpha-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine