General
Preferred name
AURINTRICARBOXYLIC ACID
Synonyms
AURIN TRICARBOXYLIC ACID ()
ATA ()
NSC-4056 ()
NSC 4056 ()
NSC4056 ()
Aurintricarboxylic Acid (ammonium salt) ()
Melicopine ()
P&D ID
PD000590
CAS
4431-00-9
569-58-4
568-01-4
Tags
nuisance
natural product
available
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
DNA topoisomerase II inhibitor
(LOPAC library)
DESCRIPTION
Aurintricarboxylic acid acts as a histological dye and an insulin-like growth factor receptor 1 antagonist.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
5
Compound Sets
8
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
MedChem Express Bioactive Compound Library
Nuisance compounds in cellular assays
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Molecular Weight
422.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
5
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
2.45
TPSA
169.43
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.45
Structural alerts
1
Nonspecific/NOS
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Selectivity
TopoII
Pathway
Apoptosis
MicroRNA
P2 Receptor
Topoisomerase
Anti-infection
Cell Cycle/DNA Damage
Epigenetics
Membrane Transporter/Ion Channel
Target
rP2X1
rP2X3
topoisomerase II
Influenza Virus
P2X Receptor
Solubility
In Vitro:<br/>DMSO : 125 mg/mL(295.97 mM
Need ultrasonic)<br/>H2O : < 0.1 mg/mL (ultrasonic)(insoluble)<br/>In Vivo:<br/>1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline<br/>Solubility: ≥ 2.08 mg/mL (4.92 mM)
Clear solution<br/>2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline)<br/>Solubility: ≥ 2.08 mg/mL (4.92 mM)
Clear solution
Source data
