Details of the Drug

General Information of Drug (ID: DMV0C69)

Drug Name
6-chlorotacrine hydrochloride
Synonyms
6-chlorotacrine; 5778-84-7; 9-AMINO-6-CHLORO-1,2,3,4-TETRAHYDRO-ACRIDINE; Tacrine Analogue 4; 6-chlorotacrine.HCl; 6-Chlorotacrine HCl; 6-chloro-1,2,3,4-tetrahydroacridin-9-amine; SCHEMBL4271238; BDBM8987; ZINC5689; CHEMBL292314; GQZMDBQRGRRPMS-UHFFFAOYSA-N
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) 232.71
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H13ClN2
IUPAC Name
6-chloro-1,2,3,4-tetrahydroacridin-9-amine
Canonical SMILES
C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)N
InChI
InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
InChIKey
GQZMDBQRGRRPMS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10399068
ChEBI ID
CHEMBL292314
TTD ID
D0M0BM
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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]
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [1]
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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 Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem. 2009 Sep 10;52(17):5365-79.