Details of the Drug

General Information of Drug (ID: DMO2WYX)

Drug Name
ZT-1
Synonyms (5R,9R)-5-(5-Chloro-2-hydroxy-3-methoxybenzylideneamino)-11-ethylidene-7-methyl-1,2,5,6,9,10-hexahydro-5,9-methanocycloocta[b]pyridin-2-one; 180694-97-7
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 410.9
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H23ClN2O3
IUPAC Name
(1R,9R,13E)-1-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
Canonical SMILES
C/C=C/1\\[C@@H]2CC3=C([C@]1(CC(=C2)C)N=CC4=C(C(=CC(=C4)Cl)OC)O)C=CC(=O)N3
InChI
InChI=1S/C23H23ClN2O3/c1-4-17-14-7-13(2)11-23(17,18-5-6-21(27)26-19(18)9-14)25-12-15-8-16(24)10-20(29-3)22(15)28/h4-8,10,12,14,28H,9,11H2,1-3H3,(H,26,27)/b17-4+,25-12?/t14-,23+/m0/s1
InChIKey
UYRWZANUXPUEPQ-OWNLDCJBSA-N
Cross-matching ID
PubChem CID
135543744
CAS Number
180694-97-7
UNII
4MU6P880QL
DrugBank ID
DB05520
TTD ID
D05REB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Parkinson disease
ICD Disease Classification 8A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Phase I study on the pharmacokinetics and tolerance of ZT-1, a prodrug of huperzine A, for the treatment of Alzheimer's disease. Acta Pharmacol Sin. 2013 Jul;34(7):976-82.
2 A sensitive method for the determination of the novel cholinesterase inhibitor ZT-1 and its active metabolite huperzine A in rat blood using liquid chromatography/tandem mass spectrometry. Rapid Commun Mass Spectrom. 2004;18(6):651-6.