Compound Detail
CHEMBL1463
FLUCYTOSINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1463 |
| Name | FLUCYTOSINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XRECTZIEBJDKEO-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
7
Activities
2
Assay Types
16
PK Parameters
20
Publications
13
Known Names
15
Indications
2
Mechanisms
Molecular Properties
129.1
MW (Da)
-0.51
ALogP
3
HBA
2
HBD
71.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1971 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Thymidylate synthase inhibitor | INHIBITOR | Thymidylate synthase | ✓ | ✓ |
| Thymidylate synthase inhibitor | INHIBITOR | Thymidylate synthase | ✓ | ✓ |
Indications
Candidiasis Infections Meningitis Intracranial Hypertension Meningitis, Cryptococcal Astrocytoma Brain Neoplasms Carcinoma, Hepatocellular Colorectal Neoplasms Digestive System Neoplasms Glioblastoma Gliosarcoma Neoplasms Neoplasms Oligodendroglioma
ATC Classification
D01AE21
flucytosine
Level 1: DERMATOLOGICALS
Level 2: ANTIFUNGALS FOR DERMATOLOGICAL USE
J02AX01
flucytosine
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIMYCOTICS FOR SYSTEMIC USE
Drug Warnings
Black Box Warning
General Warning
Activity Summary
IC50 5 meas. best 6.39
EC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.6 | 6.6 | 252.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 6.39 | 6.275 | 410.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.15 | 6.15 | 711.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.5133 | 10590.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 576000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1289000.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 6.7 | L/hr | Homo sapiens |
| CL | 3.8 | L/hr | Homo sapiens |
| CL | 2.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.02 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.0 | mL.min-1.kg-1 | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| F | 83.5 | % | Homo sapiens |
| Fu | 1.0 | - | Homo sapiens |
| Fu | 1.0 | - | Homo sapiens |
| MRT | 5.7 | hr | Homo sapiens |
| T1/2 | 0.5 | hr | Mus musculus |
| T1/2 | 2.5 | hr | Homo sapiens |
| T1/2 | 4.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 252.0 | nM | 6.6 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Candida albicans | IC50 | = | 410.0 | nM | 6.39 | Antifungal activity against azole-resistant Candida albicans after 24 hrs by res... | 30638761 |
| Candida albicans | IC50 | = | 700.0 | nM | 6.16 | Antifungal activity against Candida albicans ATCC59630 | 33667089 |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 711.0 | nM | 6.15 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 10590.0 | nM | 4.97 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 29160.0 | nM | 4.54 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 92720.0 | nM | 4.03 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
Literature References
Data from ChEMBL 36 via Core Engine