Details of the Drug

General Information of Drug (ID: DM1SEXA)

• Drug Name: 7-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine
• Synonyms: 7-chloro-1,2,3,4-tetrahydroacridin-9-amine; BRN 0394541; ACRIDINE, 1,2,3,4-TETRAHYDRO-9-AMINO-7-CHLORO-; 6115-67-9; 9-Amino-7-chloro-1,2,3,4-tetrahydroacridine; Tacrine Analogue 3; AC1L2KHB; CHEMBL62084; BDBM8986; DTXSID20210043; ZINC2034186; AKOS011482955; LS-14463

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: 7-chloro-1,2,3,4-tetrahydroacridin-9-amine
  Canonical SMILES: C1CCC2=NC3=C(C=C(C=C3)Cl)C(=C2C1)N
  InChI: InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
  InChIKey: PUKKYURTEBJMKJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 22493
  CAS Number: 6115-67-9
  TTD ID: D0MB3S

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).