Compound Detail
CHEMBL106
FLUCONAZOLE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL106 |
| Name | FLUCONAZOLE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
30
Targets
113
Activities
4
Assay Types
30
PK Parameters
20
Publications
15
Known Names
20
Indications
1
Mechanisms
Molecular Properties
306.3
MW (Da)
0.74
ALogP
7
HBA
1
HBD
81.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1990 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cytochrome P450 51 inhibitor | INHIBITOR | Lanosterol 14-alpha demethylase | ✓ | ✓ |
Indications
Candidiasis Candidiasis, Vulvovaginal Meningitis, Cryptococcal Urinary Tract Infections Aspergillosis Bacterial Infections Candidemia Candidiasis, Invasive Candidiasis, Oral Coccidioidomycosis Crohn Disease HIV Infections Infections Inflammatory Bowel Diseases Leishmaniasis, Cutaneous Leukopenia Mycoses Neoplasms Neoplasms Tinea Pedis
ATC Classification
D01AC15
fluconazole
Level 1: DERMATOLOGICALS
Level 2: ANTIFUNGALS FOR DERMATOLOGICAL USE
J02AC01
fluconazole
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIMYCOTICS FOR SYSTEMIC USE
Activity Summary
IC50 91 meas. best 9.0
Kd 20 meas. best 7.35
EC50 1 meas. best 4.86
Ki 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Candida albicans CHEMBL366 | IC50 | 9.0 | 6.1533 | 1.0 | 18 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 8.3 | 5.9757 | 5.0 | 7 |
| Lanosterol 14-alpha demethylase CHEMBL1780 | Kd | 7.35 | 7.35 | 45.0 | 1 |
| Lanosterol 14-alpha demethylase CHEMBL1780 | IC50 | 7.01 | 6.8943 | 98.0 | 7 |
| Unchecked CHEMBL612545 | Kd | 6.85 | 5.4388 | 141.0 | 8 |
| Sterol 14alpha-demethylase CHEMBL5090 | Kd | 6.7 | 5.1267 | 200.0 | 3 |
| Sterol 14-alpha demethylase CHEMBL1075110 | Kd | 6.64 | 6.64 | 230.0 | 2 |
| Sterol 14-alpha demethylase CHEMBL1075110 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Trichophyton rubrum CHEMBL612649 | IC50 | 5.75 | 5.66 | 1800.0 | 2 |
| Trichophyton mentagrophytes CHEMBL613162 | IC50 | 5.71 | 4.9367 | 1950.0 | 6 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Candida parapsilosis CHEMBL612868 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Saccharomyces cerevisiae CHEMBL361 | IC50 | 5.46 | 4.9133 | 3500.0 | 3 |
| 14-alpha sterol demethylase CHEMBL1681624 | Kd | 5.39 | 5.39 | 4030.0 | 1 |
| Candida tropicalis CHEMBL612870 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Mycocyclosin synthase CHEMBL1681615 | Kd | 5.22 | 5.22 | 6000.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.21 | 4.9027 | 6200.0 | 11 |
| Unchecked CHEMBL612545 | IC50 | 5.15 | 5.15 | 7140.0 | 1 |
| Aspergillus fumigatus CHEMBL363 | IC50 | 5.13 | 5.13 | 7350.0 | 3 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.09 | 5.09 | 8200.0 | 4 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.04 | 4.6375 | 9210.0 | 8 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.0 | 5.0 | 9960.0 | 2 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
| Sterol 14-alpha demethylase cyp51A CHEMBL1681623 | Kd | 4.92 | 4.92 | 11930.0 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Naegleria fowleri CHEMBL3301413 | EC50 | 4.86 | 4.86 | 13900.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.78 | 4.78 | 16490.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.72 | 4.72 | 19210.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Nakaseomyces glabratus CHEMBL612647 | IC50 | 4.53 | 4.53 | 29500.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Lanosterol 14-alpha demethylase CHEMBL3849 | Kd | 4.4 | 4.28 | 40000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 19.6 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 19600.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 100000.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 0.31 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.31 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.31 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.0 | mL.min-1.g-1 | Mus musculus |
| F | 80.0 | % | Homo sapiens |
| F | 90.0 | % | Homo sapiens |
| Fu | 0.89 | - | - |
| Fu | 0.814 | - | - |
| Fu | 0.89 | - | Homo sapiens |
| Fu | 0.89 | - | Homo sapiens |
| Fu | 0.89 | - | Homo sapiens |
| Fu | 0.89 | - | Homo sapiens |
| Fu | 0.9 | - | Homo sapiens |
| Ka | 6.47 | 10'-4L/mol | Homo sapiens |
| Ka | 6.22 | 10'-4L/mol | Homo sapiens |
| Ka | 5.65 | 10'-4L/mol | Homo sapiens |
| Ka | 7.0 | 10'-4L/mol | Homo sapiens |
| Ka | 6.19 | 10'-4L/mol | Homo sapiens |
| Ka | 7.18 | 10'-4L/mol | Homo sapiens |
| Ka | 5.62 | 10'-4L/mol | Homo sapiens |
| Ka | 6.22 | 10'-4L/mol | Homo sapiens |
| Ka | 6.12 | 10'-4L/mol | Homo sapiens |
| Ka | 5.55 | 10'-4L/mol | Homo sapiens |
| Ka | 4.8 | 10'-4L/mol | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine