General
Preferred name
ML083
Synonyms
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine ()
P&D ID
PD003658
Tags
drug candidate
probe
natural product
available
Drug Status
experimental
Probe info
Probe selectivity
family-selective
Probe type
experimental probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
4
No orthogonal probes found
Similar probes
2
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
We aimed to discover and optimize selective modulators of human pyruvate kinase M2 (hPK-M2), a splice isoform of pyruvate kinase that is specifically expressed in tumor cells.
(MLP Probes)
DESCRIPTION
activator of muscle pyruvate kinase
(Informer Set)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Molecular Weight
454.09
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
2
cLogP
1.16
TPSA
102.45
Fraction CSP3
0.37
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
PKM
hPK- M2
Compound status
probe
Antitarget
hPK- R
Source data
