Details of the Drug

General Information of Drug (ID: DMEOZKF)

• Drug Name: PMID29757691-Compound-8b
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 436.5
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C26H32N2O4
  IUPAC Name: 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one
  Canonical SMILES: C1COCCN1CCC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)CCN4CCOCC4
  InChI: InChI=1S/C26H32N2O4/c29-25(9-11-27-13-17-31-18-14-27)23-5-1-21(2-6-23)22-3-7-24(8-4-22)26(30)10-12-28-15-19-32-20-16-28/h1-8H,9-20H2
  InChIKey: UKUXOYHUMOANRU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 42602271
  TTD ID: D04FAS

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]

Molecular Expression Atlas of This Drug

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] A patent review of butyrylcholinesterase inhibitors and reactivators 2010-2017.Expert Opin Ther Pat. 2018 Jun;28(6):455-465.