General
Preferred name
PD062453
Synonyms
P&D ID
PD062453
Tags
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Drug Repurposing Hub
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
664.12
Hydrogen Bond Acceptors
17
Hydrogen Bond Donors
8
Rotatable Bonds
11
Ring Count
5
Aromatic Ring Count
3
cLogP
-3.02
TPSA
318.26
Fraction CSP3
0.48
Chiral centers
10.0
Largest ring
6.0
QED
0.07
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
AHCY, AKR1A1, ALDH2, BLVRA, DHPS, DLD, GALE, HMGCR, HSD17B1, HSD17B4, IMPDH2, MGAM, P2RY11, SORD, TRPM2
MOA
free radical scavenger
Source data
