Compound Detail
CHEMBL1235
DESETHYL AMODIAQUINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1235 |
| Name | DESETHYL AMODIAQUINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRXFDHAGFYWGHT-UHFFFAOYSA-N |
9
Targets
91
Activities
1
Assay Types
5
PK Parameters
20
Publications
1
Known Names
Molecular Properties
327.8
MW (Da)
4.45
ALogP
4
HBA
3
HBD
57.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 91 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.35 | 7.3337 | 4.5 | 76 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.19 | 5.19 | 6400.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 4.7 | 4.7 | 20000.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.62 | 4.4133 | 24000.0 | 3 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 4.55 | 4.55 | 28000.0 | 2 |
| Heme CHEMBL4651321 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 4.27 | 4.27 | 54000.0 | 2 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.24 | 4.24 | 58000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.g-1 | Mus musculus |
| CL | 1.9 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 4.4 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 1.6 | mL.min-1.g-1 | Macaca mulatta |
| CL | 0.5 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine