Compound Detail
CHEMBL57895
EFAROXAN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL57895 |
| Name | EFAROXAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RATZLMXRALDSJW-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
1
PK Parameters
20
Publications
3
Known Names
Molecular Properties
216.3
MW (Da)
1.77
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Ki 6 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 7.29 | 7.29 | 51.3 | 1 |
| Nischarin CHEMBL3923 | Ki | 7.28 | 7.2333 | 52.4 | 3 |
| Unchecked CHEMBL612545 | Ki | 7.18 | 7.18 | 65.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 4.4 | nM | 8.36 | Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor e... | 27265687 |
| Adrenergic receptor alpha-2 | Ki | = | 51.29 | nM | 7.29 | Displacement of [3H]-RX 821002 from Alpha-2 adrenergic receptors of rabbit white... | 12747788 |
| Nischarin | Ki | = | 52.36 | nM | 7.28 | Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets a... | 18621536 |
| Nischarin | Ki | = | 52.4 | nM | 7.28 | Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets a... | 18621536 |
| Unchecked | Ki | = | 65.9 | nM | 7.18 | Displacement of [125I]PIC from human alpha2 adrenoceptors expressed in CHO cells | 18621536 |
| Nischarin | Ki | = | 72.44 | nM | 7.14 | Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheoc... | 12747788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | Fibroblast | 10 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 9 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| 27265687 | 10.1016/j.bmc.2016.05.043 | Alpha-2A adrenergic receptor | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 18621536 | 10.1016/j.bmc.2008.06.051 | Nischarin | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
Data from ChEMBL 36 via Core Engine