Details of the Drug

General Information of Drug (ID: DMS7DA3)

• Drug Name: 8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine
• Synonyms: CHEMBL134057; 8-chloro-1,2,3,4-tetrahydroacridin-9-amine; 122994-74-5; 8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine; SCHEMBL9584574; MolPort-039-242-295; ZINC27416388; BDBM50279984; AKOS033887449; 9-Amino-8-chloro-1,2,3,4-tetrahydro-acridinium

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #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: 8-chloro-1,2,3,4-tetrahydroacridin-9-amine
  Canonical SMILES: C1CCC2=NC3=C(C(=CC=C3)Cl)C(=C2C1)N
  InChI: InChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
  InChIKey: KVGMGGLTJLJDFE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 19770285
  TTD ID: D0X4EV

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 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

References

• [1] The synthesis and in vitro acetylcholinesterase and butyrylcholinesterase inhibitory activity of tacrine (Cognex ) derivaties, Bioorg. Med. Chem. Lett. 2(8):861-864 (1992).