Details of the Drug

General Information of Drug (ID: DMUEFDM)

Drug Name
6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylamine
Synonyms CHEMBL48643; Tacrine deriv. 2; 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine; SCHEMBL15168338; BDBM10516; ZINC13492737; AKOS011484747
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 267.15
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H12Cl2N2
IUPAC Name
6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine
Canonical SMILES
C1CCC2=NC3=C(C(=CC(=C3)Cl)Cl)C(=C2C1)N
InChI
InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
InChIKey
ISUJWDYWYFLQFP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10858442
TTD ID
D0D4SK

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 Novel and potent tacrine-related hetero- and homobivalent ligands for acetylcholinesterase and butyrylcholinesterase. Bioorg Med Chem Lett. 2001 Jul 9;11(13):1779-82.