General
Preferred name
TIOXOLONE
Synonyms
Acnosan, Tioxolon ()
6-hydroxybenzo[d][1,3]oxathiol-2-one ()
Thioxolone ()
Tioxolona ()
NSC-758240 ()
P&D ID
PD001080
CAS
4991-65-5
Tags
available
drug
Drug indication
Discovery agent
acne
Drug Status
approved
experimental
investigational
Max Phase
2.0
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
Tioxolone is an inhibitor for the carbonic anhydrase. Tioxolone exhibits anti-leishmanial, antitumor, and anti-inflammatory activities. Tioxolone can be used in research of acne and psoriasis[1][2][3].
PRICE
29
DESCRIPTION
Tioxolone is a metalloenzyme carbonic anhydrase I inhibitor with a Ki of 91 nM.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Tioxolone has inhibitory activity against carbonic anhydrase.
(Enamine Bioactive Compounds)
DESCRIPTION
Tioxolone is a metalloenzyme carbonic anhydrase I inhibitor.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
18
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMatrix
Enamine Bioactive Compounds
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Molecular Weight
167.99
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
1.56
TPSA
50.44
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Carbonic Anhydrase
Carbonic anhydrase I
CA2
Apoptosis
Autophagy
Parasite
MOA
Carbonic anhydrase inhibitor
Pathway
Metabolism
Anti-infection
Metabolic Enzyme/Protease
Source data
