General
Preferred name
PYRROLOQUINOLINE QUINONE
Synonyms
Pyrroloquinolinequinone disodium salt ()
Methoxatin disodium salt ()
pqq,methoxatin disodium salt ()
Pyrroloquinoline quinone (disodium salt) ()
PQQ ()
Methoxatin ()
PQQ (disodium salt) ()
Methoxatin (disodium salt) ()
Pyrroloquinoline Quinone Disodium Salt ()
P&D ID
PD039184
CAS
122628-50-6
72909-34-3
Tags
available
drug candidate
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 41
PRICE 29
DESCRIPTION Pyrroloquinoline quinone disodium salt (Methoxatin disodium salt), an aromatic tricyclic o-quinone, is a redox cofactor for bacterial dehydrogenases. It is an efficient electron transfer catalyst from a number of organic substrates to molecular oxygen (O2), constructing quinoprotein model reactions. (TargetMol Bioactive Compound Library)
DESCRIPTION Pyrroloquinoline quinone (PQQ), as a well-known redox enzyme cofactor, PQQ can protect NS/PCs against glutamate toxicity associated with ROS-mediated mitochondrial pathway, (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
4
Cayman Chemical Bioactives
20681
DrugBank
DB03205
MedChem Express Bioactive Compound Library
HY-100196A
HY-100196
TargetMol Bioactive Compound Library
T5693
T5692
External IDs
54
Properties
(calculated by RDKit )
Molecular Weight
330.01
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
0.55
TPSA
174.72
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
2
quinone_D(2)
[#6]-1(-[#6]=,:[#6]-[#6]=,:[#6]-[#6]-1=[!#6&!#1])=[!#6&!#1]
PAINS Family C
imine_one_A(321)
[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Metabolism
Source data