Details of the Drug

General Information of Drug (ID: DMHV5OD)

• Drug Name: MF268
• Synonyms: MF 268; 154619-51-9; 5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline; (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl {8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}carbamate; Carbamic acid, (8-(2,6-dimethyl-4-morpholinyl)octyl)-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-(3a-alpha,5(2R*,6S*),8a-alpha))-; AC1MINCK; SCHEMBL2405111; CHEBI:43927; LS-49610; [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-[8-[(2S,6R)-2,6-dimet

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 270.41
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H30N2O2
  IUPAC Name: N-[8-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octyl]formamide
  Canonical SMILES: C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O
  InChI: InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+
  InChIKey: UXVBAZRPAJEAHR-GASCZTMLSA-N
• Cross-matching ID:
  PubChem CID: 5288799
  DrugBank ID: DB04021
  TTD ID: D06ZAM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Alzheimer disease
• ICD Disease Classification: 8A20

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] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007171)
• [2] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.