Compound Detail
CHEMBL638
VORICONAZOLE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL638 |
| Name | VORICONAZOLE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | BCEHBSKCWLPMDN-MGPLVRAMSA-N |
| Therapeutic | ✓ Yes |
18
Targets
70
Activities
3
Assay Types
30
PK Parameters
20
Publications
8
Known Names
20
Indications
1
Mechanisms
Molecular Properties
349.3
MW (Da)
2.18
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2002 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cytochrome P450 51 inhibitor | INHIBITOR | Lanosterol 14-alpha demethylase | ✓ | ✓ |
Indications
Aspergillosis Bacterial Infections and Mycoses Candidemia Candidiasis Fusariosis Infections Mycoses Candidiasis, Invasive Leishmaniasis Leukemia Leukemia, Myeloid, Acute Neuroaspergillosis Aspergillosis, Allergic Bronchopulmonary Myelodysplastic Syndromes Asthma Graft vs Host Disease Hematologic Neoplasms HIV Infections Leukemia, Lymphocytic, Chronic, B-Cell Neoplasms
ATC Classification
J02AC03
voriconazole
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIMYCOTICS FOR SYSTEMIC USE
Activity Summary
IC50 43 meas. best 7.66
Kd 18 meas. best 7.3
Ki 9 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesterol 24-hydroxylase CHEMBL4523510 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Cholesterol 24-hydroxylase CHEMBL4523510 | IC50 | 7.66 | 7.495 | 22.0 | 2 |
| Candida albicans CHEMBL366 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Cholesterol 24-hydroxylase CHEMBL4523510 | Kd | 7.3 | 7.3 | 50.0 | 1 |
| Lanosterol 14-alpha demethylase CHEMBL3390824 | Kd | 7.25 | 7.25 | 56.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.01 | 5.98 | 96.5 | 2 |
| ADMET CHEMBL612558 | IC50 | 6.8 | 5.2883 | 160.0 | 6 |
| Lanosterol 14-alpha demethylase CHEMBL1780 | Kd | 6.78 | 6.78 | 165.0 | 1 |
| Cytochrome P450 2B6 CHEMBL4729 | Ki | 6.47 | 6.435 | 340.0 | 2 |
| 14-alpha sterol demethylase CHEMBL1681624 | Kd | 6.37 | 6.37 | 423.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.35 | 5.92 | 450.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 6.29 | 5.0864 | 510.0 | 11 |
| Lanosterol 14-alpha demethylase CHEMBL1780 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Cytochrome P450 3A CHEMBL2364675 | Ki | 6.18 | 5.855 | 660.0 | 2 |
| Cytochrome P450 2B6 CHEMBL4729 | IC50 | 6.1 | 5.5157 | 790.0 | 7 |
| ADMET CHEMBL612558 | Ki | 5.81 | 5.81 | 1550.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
| Cytochrome P450 3A CHEMBL2364675 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Sterol 14-alpha demethylase cyp51A CHEMBL1681623 | Kd | 5.44 | 5.44 | 3630.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.44 | 5.014 | 3620.0 | 5 |
| Cholesterol side-chain cleavage enzyme, mitochondrial CHEMBL4813 | Kd | 5.32 | 5.32 | 4800.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | Ki | 5.29 | 5.29 | 5100.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.28 | 4.96 | 5250.0 | 5 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.23 | 5.22 | 5840.0 | 2 |
| Leishmania major CHEMBL612879 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.89 | 4.89 | 13000.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 12900.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 2900.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 43000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 40500.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 27400.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 145.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 19500.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 4250.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 26500.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 25900.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 47200.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 19650.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 22733.33 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 8166.67 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 8450.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 39500.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 222000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 7197.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2527.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.02333 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4.232 | mL.min-1.kg-1 | Homo sapiens |
| CL | 8.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.6 | L/hr | Homo sapiens |
| CL | 4.0 | L/hr | Homo sapiens |
| CL | 6.3 | L/hr | Homo sapiens |
| CL | 3.6 | L/hr | Homo sapiens |
| CL | 4.0 | L/hr | Homo sapiens |
| CL | 5.6 | L/hr | Homo sapiens |
| CL | 5.0 | L/hr | Homo sapiens |
| CL | 4.1 | L/hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine