General
Preferred name
itraconazole
Synonyms
R51211 ()
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]meth ()
Itraconazol ()
R-51211 ()
Itrac ()
Cladosal 100 ()
Traconal ()
Spherazole cr ()
Sempera ()
Sporonox ()
Triasporin ()
Spherazole ir ()
Itralek ()
NSC-759239 ()
Fungitraxx ()
Sporanox-Pulse ()
Candistat ()
Itrizole ()
Canditral ()
Sporanox I.V. ()
R 51,211 ()
Orungal ()
Itraconazole component of suba- ()
Sporamelt ()
Sporanox ()
Itraconazole (racemate) ()
P&D ID
PD002960
CAS
84625-61-6
2049588-24-9
Tags
available
probe
drug
Approved by
FDA
First approval
1992
Drug Status
vet_approved
approved
Max Phase
4.0
Drug indication
sinusitis
Probe info
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Orthogonal probes
5
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
anti-fungal agent; inhibitor of hedgehog signaling pathway
(Informer Set)
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)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
18
Compound Sets
12
ChEMBL Approved Drugs
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
Enamine Bioactive Compounds
Informer Set
NIH Clinical Collections (NCC)
Pandemic Response Box
Prestwick Chemical Library
Probe Miner (suitable probes)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
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)
Compound status
FDA
MOA
P450 inhibitor
Pathway
Metabolism
Target
CYP3A4
Source data
