Edonerpic maleateProduct ingredient for Edonerpic

Name
Edonerpic maleate
Drug Entry
Edonerpic

Edonerpic is a neurotrophic agent intended for the treatment of Alzheimer's disease which is under phase I clinical trial.

Accession Number
DBSALT002609
Structure
Synonyms
1-(3-(2-(Benzo(b)thiophene-5-yl)ethoxy)propyl)azetidine-3-ol maleate / T-817 maleate
External IDs
T-817MA
UNII
0LB9F7I5P3
CAS Number
519187-97-4
Weight
Average: 407.48
Monoisotopic: 407.140258703
Chemical Formula
C20H25NO6S
InChI Key
RLUCYBFCLXANSO-BTJKTKAUSA-N
InChI
InChI=1S/C16H21NO2S.C4H4O4/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16;5-3(6)1-2-4(7)8/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
IUPAC Name
(2Z)-but-2-enedioic acid; 1-{3-[2-(1-benzothiophen-5-yl)ethoxy]propyl}azetidin-3-ol
SMILES
OC(=O)\C=C/C(O)=O.OC1CN(CCCOCCC2=CC=C3SC=CC3=C2)C1
ChemSpider
9513693
Predicted Properties
PropertyValueSource
Water Solubility0.0404 mg/mLALOGPS
logP2.82ALOGPS
logP2.29Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)14.79Chemaxon
pKa (Strongest Basic)7.24Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area32.7 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity82.6 m3·mol-1Chemaxon
Polarizability33.52 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon