General
Preferred name
BETAINE ALDEHYDE
Synonyms
BETAINE ALDEHYDE CHLORIDE ()
Betaine Aldehyde (chloride) ()
P&D ID
PD006243
CAS
7418-61-3
7758-31-8
Tags
available
covalent binder
drug candidate
Drug Status
experimental
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
Intermediate in choline-betaine osmoregulatory pathway; product of choline dehydrogenation
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Molecular Weight
102.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.11
TPSA
17.07
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
0.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Choline dehydrogenase
Source data
