Compound Detail
CHEMBL1365675
AMITRAZ 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1365675 |
| Name | AMITRAZ |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QXAITBQSYVNQDR-ZIOPAAQOSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
13
Publications
7
Known Names
Molecular Properties
293.4
MW (Da)
4.87
ALogP
2
HBA
0
HBD
28.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 2 meas. best 4.8
IC50 2 meas. best 7.32
Ki 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.5 | 7.5 | 31.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.32 | 7.32 | 47.7 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.46 | 6.46 | 347.6 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 6.03 | 6.03 | 926.9 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 31.8 | nM | 7.5 | DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) | - |
| Unchecked | IC50 | = | 47.7 | nM | 7.32 | DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) | - |
| Alpha-2A adrenergic receptor | Ki | = | 347.6 | nM | 6.46 | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | - |
| Alpha-2A adrenergic receptor | IC50 | = | 926.9 | nM | 6.03 | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | - |
| Trypanosoma cruzi | EC50 | = | 16000.0 | nM | 4.8 | Antitrypanosomal activity against Trypanosoma cruzi amastigotes infected in BESM... | 20547819 |
| ADMET | EC50 | = | 33000.0 | nM | 4.48 | Cytotoxicity against BESM cells after 88 hrs by HTS assay | 20547819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 467 |
| 20309850 | 10.1002/ps.1943 | Bombus terrestris | 7 |
| - | 10.1016/j.cropro.2010.11.012 | Tetranychus urticae | 3 |
| 23129510 | 10.1002/ps.3378 | TyR1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 20547819 | 10.1128/aac.01777-09 | ADMET | 1 |
| 20547819 | 10.1128/aac.01777-09 | Trypanosoma cruzi | 1 |
| 20547819 | 10.1128/aac.01777-09 | Unchecked | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine