General
Preferred name
ACEGLUMATE
Synonyms
Deanol aceglutamate ()
Oristar dmae ()
Dimethyl mea ()
NSC-2652 ()
Aceglumate de deanol ()
Aceglumato de deanol ()
deanol ()
DEANOL ACEGLUMATE ()
P&D ID
PD014523
CAS
1188-37-0
5817-08-3
Tags
available
drug
Drug Status
approved
Max Phase
4.0
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
3
ChEMBL Approved Drugs
ChEMBL Drugs
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
189.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.56
TPSA
103.7
Fraction CSP3
0.57
Chiral centers
1.0
Largest ring
0.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
