Details of the Drug

General Information of Drug (ID: DMJSY3Q)

Drug Name
Ladostigil
Synonyms Ladostigil tartrate; Alzheimer disease therapeutics, Teva; TV-3219; TV-3279; TV-3326
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 272.34
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H20N2O2
IUPAC Name
[(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
Canonical SMILES
CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1
InChI
InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1
InChIKey
LHXOCOHMBFOVJS-OAHLLOKOSA-N
Cross-matching ID
PubChem CID
208907
ChEBI ID
CHEMBL255231
CAS Number
209394-27-4
UNII
SW3H1USR4Q
DrugBank ID
DB16213
TTD ID
D0C3UC
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [1]
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Alzheimer disease
ICD Disease Classification 8A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 9.83E-01 0.04 0.19
Monoamine oxidase type A (MAO-A) DTT MAOA 6.93E-01 -0.36 -0.41
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
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References

1 Ladostigil: a novel multimodal neuroprotective drug with cholinesterase and brain-selective monoamine oxidase inhibitory activities for Alzheimer's disease treatment. Curr Drug Targets. 2012 Apr;13(4):483-94.