Compound Detail
CHEMBL4646408
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Basic Information
| ChEMBL ID | CHEMBL4646408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBGXAQUTKHIMNE-GHMZBOCLSA-N |
7
Targets
9
Activities
2
Assay Types
9
PK Parameters
19
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.09
ALogP
8
HBA
2
HBD
112.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 7.11
IC50 1 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 7.11 | 6.9333 | 77.0 | 3 |
| Cytochrome P450 2D6 CHEMBL289 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1100.0 | ng.hr.mL-1 | Mus musculus |
| CL | 8.6 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 1572.17 | nM | Mus musculus |
| F | 48.9 | % | Mus musculus |
| Fu | 0.243 | - | Mus musculus |
| Fu | 0.041 | - | Mus musculus |
| T1/2 | 1.1 | hr | Mus musculus |
| T1/2 | 2.417 | hr | Homo sapiens |
| T1/2 | 2.17 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine