General
Preferred name
itraconazole
Synonyms
ITRACONAZOLE HYDROCHLORIDE ()
Sporanox-Pulse ()
Sporanox ()
Sporanox I.V. ()
R51211 ()
Itraconazole (Sporanox) ()
R 51211 ()
Itraconazole?(R 51211) ()
Itraconazole-d5 ()
P&D ID
PD009766
CAS
84604-65-9
84625-61-6
1217510-38-7
Tags
available
drug
nuisance
Drug indication
Fungal infection
Drug Status
approved
investigational
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Itraconazole is an antimycotic drug. It inhibits fungal cytochrome P450 enzymes. It has been reported to exhibit antiviral activity towards SARS-CoV-2 (in VERO-E6 cells), potentially via inhibition of the virus' main protease (M-Pro, 3CL-Pro).
(GtoPdb)
PRICE
29
DESCRIPTION
Itraconazole is an antifungal agent used for the treatment of various fungal infections in immunocompromised and non-immunocompromised patients, such as pulmonary and extrapulmonary blastomycosis, histoplasmosis, and onychomycosis.
(Enamine Bioactive Compounds)
DESCRIPTION
Itraconazole (R51211) is a triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes necessary for ERGOSTEROL synthesis.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
19
A Collection of Useful Nuisance Compounds (CONS) for Interrogation of Bioassay Integrity
AdooQ Bioactive Compound Library
CeMM library of unique drugs (CLOUD)
DrugBank
DrugBank Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Enamine Bioactive Compounds
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Molecular Weight
704.24
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
0
Rotatable Bonds
11
Ring Count
7
Aromatic Ring Count
5
cLogP
5.58
TPSA
104.7
Fraction CSP3
0.37
Chiral centers
3.0
Largest ring
6.0
QED
0.17
Structural alerts
4
anil_di_alk_C(246)
c:1:c:c(:c:c:c:1-[#8]-[#6;X4])-[#7;$([#7!H0]-[#6;X4]),$([#7](-[#6;X4])-[#6;X4])]
PAINS Family A
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Aggregation
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
MOA
fungal lanosterol 14-alpha demethylase inhibitor
P450 inhibitor
Target
Cytochrome P450 51
antibiotic
Bacterial
Cytochrome P450
Fungal
Hedgehog
Autophagy,Fungal,Hedgehog/Smoothened,P450 (e.g. CYP17)
CYP3A4
Pathway
Autophagy
GPCR/G protein
Metabolism
Microbiology/virology
Stem Cells
Anti-infection
Metabolic Enzyme/Protease
Stem Cell/Wnt
Therapeutic Class
Antifungal Agents
Nuisance MOA
Colloidal aggregates
Targets
Fungal
Hedgehog signaling pathway
14α-demethylase
Source data
