General
Preferred name
ANTHRAQUINONE
Synonyms
9,10-Anthracenedione ()
Anthradione, anthracenedione, dioxoanthracene ()
P&D ID
PD001384
CAS
84-65-1
90530-46-4
790240-52-7
Tags
available
drug candidate
Drug indication
Discovery agent
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)
PRICE
29
DESCRIPTION
Anthraquinone (Anthradione)s are the main active constituents in herbs often used to relieve constipation.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
1
Compound Sets
7
Drug Repurposing Hub
DrugMAP
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
NPC Screening Collection
Selleckchem Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
208.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
2.46
TPSA
34.14
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Target
CDC25B
Apoptosis
Topoisomerase
Virus Protease
MOA
CDC inhibitor
Pathway
Anti-infection
Cell Cycle/DNA Damage
Source data
